 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer01_STD_M11_def2SVPD.in
 Output=30_ibuprofen_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/30_ibuprofen/Gau-1569.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1570.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                29-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep 29 11:52:23 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.646549000000     -0.738131000000     -0.801564000000
  C                                                -1.432592000000     -0.511522000000      0.329783000000
  C                                                 0.680010000000     -0.338401000000     -0.847846000000
  C                                                 1.266867000000      0.302071000000      0.243935000000
  C                                                 0.492409000000      0.520436000000      1.377965000000
  C                                                -0.838534000000      0.122026000000      1.417910000000
  C                                                -2.882387000000     -0.913637000000      0.347539000000
  C                                                -3.797679000000      0.013396000000     -0.476375000000
  C                                                -3.787727000000      1.442814000000      0.061806000000
  C                                                -5.218015000000     -0.547768000000     -0.520760000000
  C                                                 2.713060000000      0.767110000000      0.191830000000
  C                                                 3.602939000000     -0.429270000000     -0.086386000000
  O                                                 3.981236000000     -0.787282000000     -1.171710000000
  O                                                 3.915201000000     -1.096316000000      1.047826000000
  H                                                -1.080077000000     -1.240686000000     -1.658424000000
  H                                                 1.270566000000     -0.537518000000     -1.733203000000
  H                                                 0.933056000000      1.005917000000      2.240389000000
  H                                                -1.424007000000      0.306057000000      2.310676000000
  H                                                -3.244624000000     -0.936082000000      1.379648000000
  H                                                -2.980608000000     -1.931165000000     -0.041430000000
  H                                                -3.406098000000      0.034214000000     -1.499523000000
  H                                                -4.163541000000      1.470389000000      1.088857000000
  H                                                -4.425556000000      2.090476000000     -0.542757000000
  H                                                -2.782177000000      1.864314000000      0.062741000000
  H                                                -5.646809000000     -0.595436000000      0.484188000000
  H                                                -5.235024000000     -1.556669000000     -0.938514000000
  H                                                -5.870883000000      0.080410000000     -1.129959000000
  H                                                 2.976513000000      1.139253000000      1.182625000000
  C                                                 2.933498000000      1.865447000000     -0.850054000000
  H                                                 4.436417000000     -1.871707000000      0.786177000000
  H                                                 2.278614000000      2.710285000000     -0.637065000000
  H                                                 2.713092000000      1.497500000000     -1.850637000000
  H                                                 3.967865000000      2.211791000000     -0.839432000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep 29 11:52:23 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.396124   0.000000
     3  C    1.386248   2.424844   0.000000
     4  C    2.415833   2.820706   1.395203   0.000000
     5  C    2.762528   2.422654   2.393121   1.390501   0.000000
     6  C    2.388052   1.392231   2.766156   2.417302   1.389869
     7  C    2.519963   1.504632   3.801383   4.324926   3.808883
     8  C    3.255789   2.553246   4.506823   5.123652   4.701119
     9  C    3.920322   3.072117   4.894984   5.184919   4.571938
    10  C    4.584036   3.879970   5.910797   6.584883   6.111887
    11  C    3.813077   4.340549   2.537001   1.520017   2.529635
    12  C    4.320304   5.053369   3.021852   2.470062   3.566744
    13  O    4.642824   5.624950   3.347309   3.249391   4.514741
    14  O    4.935393   5.427381   3.825502   3.100871   3.799787
    15  H    1.083844   2.146838   2.137536   3.392229   3.846287
    16  H    2.140917   3.400537   1.082710   2.148022   3.377005
    17  H    3.845820   3.398430   3.377635   2.143049   1.083345
    18  H    3.373545   2.142999   3.849477   3.392969   2.142092
    19  H    3.398068   2.136803   4.552110   4.814189   4.010843
    20  H    2.729279   2.132965   4.072754   4.807267   4.481839
    21  H    2.949368   2.745708   4.154492   4.994797   4.869775
    22  H    4.562947   3.458648   5.521098   5.618558   4.760658
    23  H    4.727462   4.060733   5.662096   6.018385   5.508228
    24  H    3.475723   2.745412   4.203315   4.343753   3.776074
    25  H    5.164893   4.217879   6.470627   6.975827   6.303492
    26  H    4.662924   4.142390   6.039870   6.864961   6.517970
    27  H    5.298256   4.709528   6.570326   7.272152   6.853816
    28  H    4.537417   4.784622   3.402969   2.122475   2.567463
    29  C    4.426930   5.109280   3.152009   2.533499   3.568198
    30  H    5.444489   6.041826   4.373974   3.881415   4.650566
    31  H    4.524954   5.008781   3.448833   2.756681   3.470780
    32  H    4.169627   5.096773   2.917112   2.812090   4.038559
    33  H    5.476887   6.160230   4.160954   3.480820   4.456044
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.528958   0.000000
     8  C    3.515203   1.541423   0.000000
     9  C    3.504460   2.540501   1.527407   0.000000
    10  C    4.836002   2.518524   1.527819   2.519429   0.000000
    11  C    3.812247   5.844500   6.588194   6.537103   8.070851
    12  C    4.721601   6.517849   7.424095   7.625523   8.832437
    13  O    5.546454   7.030889   7.850866   8.176287   9.225363
    14  O    4.921312   6.836006   7.939973   8.170344   9.283157
    15  H    3.373301   2.716463   3.217969   4.182312   4.347062
    16  H    3.848742   4.660254   5.250736   5.721023   6.600894
    17  H    2.143890   4.671742   5.544886   5.217556   6.919072
    18  H    1.083364   2.732843   3.672550   3.454968   4.810462
    19  H    2.628750   1.094061   2.156896   2.773232   2.767058
    20  H    3.306622   1.093758   2.153625   3.470711   2.673861
    21  H    3.887353   2.141105   1.095719   2.137181   2.140029
    22  H    3.603058   2.806152   2.169478   1.093997   2.788501
    23  H    4.537151   3.492663   2.170921   1.091691   2.754779
    24  H    2.941054   2.794309   2.178942   1.090318   3.477344
    25  H    4.950363   2.786028   2.170861   2.790888   1.093644
    26  H    5.263067   2.757231   2.178219   3.477385   1.092103
    27  H    5.640736   3.478827   2.174819   2.759708   1.091773
    28  H    3.955337   6.264059   7.064666   6.863186   8.538024
    29  C    4.734068   6.556070   6.991314   6.795953   8.507597
    30  H    5.674431   7.394268   8.540959   8.896477   9.832037
    31  H    4.542975   6.382647   6.649840   6.236617   8.174832
    32  H    5.018902   6.477264   6.817720   6.776509   8.297840
    33  H    5.706503   7.622542   8.078888   7.845557   9.596724
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516777   0.000000
    13  O    2.425623   1.203831   0.000000
    14  O    2.377021   1.352366   2.241919   0.000000
    15  H    4.673604   5.006030   5.104836   5.683083   0.000000
    16  H    2.736530   2.857217   2.779458   3.878205   2.454702
    17  H    2.724342   3.821246   4.914202   3.838591   4.929571
    18  H    4.670910   5.617544   6.522197   5.662913   4.273694
    19  H    6.309182   7.021056   7.664504   7.169301   3.742717
    20  H    6.304994   6.752836   7.145157   7.031048   2.589102
    21  H    6.390767   7.165080   7.440095   7.833805   2.657253
    22  H    6.970430   8.081343   8.748979   8.476776   4.940165
    23  H    7.297311   8.426988   8.907930   9.069389   4.851142
    24  H    5.605190   6.786197   7.368757   7.388545   3.937077
    25  H    8.475224   9.268819   9.771287   9.591695   5.085487
    26  H    8.357611   8.950237   9.251259   9.374651   4.228676
    27  H    8.712219   9.544743   9.890343  10.094299   4.997639
    28  H    1.090675   2.112596   3.203732   2.428389   5.494688
    29  C    1.529856   2.509396   2.870224   3.652086   5.139096
    30  H    3.207267   1.880605   2.283963   0.970236   6.066792
    31  H    2.156789   3.451650   3.926543   4.472973   5.285277
    32  H    2.169134   2.759864   2.699881   4.071122   4.682173
    33  H    2.173739   2.770461   3.017454   3.808948   6.170256
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276159   0.000000
    18  H    4.932069   2.459774   0.000000
    19  H    5.498694   4.686709   2.392565   0.000000
    20  H    4.782973   5.399066   3.600079   1.754810   0.000000
    21  H    4.717274   5.810284   4.303510   3.042560   2.483907
    22  H    6.444007   5.245671   3.217694   2.592310   3.774579
    23  H    6.385086   6.134891   4.509493   3.774956   4.302650
    24  H    5.041720   4.391122   3.053850   3.128949   3.802090
    25  H    7.264314   6.995941   4.688369   2.586190   3.028048
    26  H    6.632714   7.397127   5.343298   3.117803   2.455076
    27  H    7.193471   7.649143   5.627041   3.772084   3.685786
    28  H    3.771455   2.304856   4.618581   6.561126   6.812714
    29  C    3.052791   3.780397   5.604441   7.140681   7.074234
    30  H    4.260276   4.761196   6.435163   7.760541   7.463292
    31  H    3.572940   3.604877   5.308379   6.918763   7.039691
    32  H    2.497192   4.488505   5.987625   7.200795   6.888192
    33  H    3.953852   4.488819   6.528958   8.176394   8.129094
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055492   0.000000
    23  H    2.486546   1.765028   0.000000
    24  H    2.485802   1.765292   1.765919   0.000000
    25  H    3.058162   2.614066   3.124132   3.799224   0.000000
    26  H    2.488094   3.797550   3.756798   4.326904   1.765677
    27  H    2.492765   3.125732   2.544433   3.760977   1.764213
    28  H    7.010902   7.148343   7.659791   5.911207   8.823754
    29  C    6.630664   7.367728   7.368904   5.788103   9.025398
    30  H    8.388206   9.231495   9.797935   8.160227  10.168162
    31  H    6.342014   6.783621   6.733421   5.178513   8.660100
    32  H    6.301506   7.478599   7.281653   5.830399   8.928591
    33  H    7.717052   8.389740   8.399539   6.818924  10.103190
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766634   0.000000
    28  H    8.899245   9.205738   0.000000
    29  C    8.856831   8.987871   2.158933   0.000000
    30  H    9.829068  10.664088   3.369625   4.347682   0.000000
    31  H    8.645954   8.577499   2.503293   1.089949   5.260835
    32  H    8.563438   8.729957   3.065683   1.088637   4.612396
    33  H    9.945063  10.071155   2.494360   1.090863   4.420079
                   31         32         33
    31  H    0.000000
    32  H    1.769852   0.000000
    33  H    1.772856   1.762726   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.04D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5483934           0.2444328           0.2419028
 Leave Link  202 at Wed Sep 29 11:52:23 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5421025730 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep 29 11:52:24 2021, MaxMem=  6442450944 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.04D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep 29 11:52:25 2021, MaxMem=  6442450944 cpu:               6.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep 29 11:52:25 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep 29 11:52:26 2021, MaxMem=  6442450944 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -655.822030184974    
 DIIS: error= 4.23D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -655.822030184974     IErMin= 1 ErrMin= 4.23D-03
 ErrMax= 4.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-02 BMatP= 2.58D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.23D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 GapD=    0.411 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.56D-02 MaxDP=9.05D-01              OVMax= 2.14D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.47D-02    CP:  1.15D+00
 E= -655.850329407474     Delta-E=       -0.028299222500 Rises=F Damp=F
 DIIS: error= 8.92D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -655.850329407474     IErMin= 2 ErrMin= 8.92D-04
 ErrMax= 8.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.50D-04 BMatP= 2.58D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.92D-03
 Coeff-Com: -0.561D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.556D-01 0.106D+01
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=3.95D-03 MaxDP=2.50D-01 DE=-2.83D-02 OVMax= 9.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.68D-03    CP:  1.23D+00  1.16D+00
 E= -655.851302866846     Delta-E=       -0.000973459372 Rises=F Damp=F
 DIIS: error= 9.07D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -655.851302866846     IErMin= 2 ErrMin= 8.92D-04
 ErrMax= 9.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-04 BMatP= 8.50D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.07D-03
 Coeff-Com: -0.591D-01 0.462D+00 0.598D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.586D-01 0.457D+00 0.601D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=2.31D-04 MaxDP=1.39D-02 DE=-9.73D-04 OVMax= 3.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.32D-04    CP:  1.24D+00  1.17D+00  1.05D+00
 E= -655.851623586162     Delta-E=       -0.000320719317 Rises=F Damp=F
 DIIS: error= 2.11D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -655.851623586162     IErMin= 4 ErrMin= 2.11D-04
 ErrMax= 2.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-05 BMatP= 4.91D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.11D-03
 Coeff-Com: -0.118D-01 0.242D-01 0.184D+00 0.803D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.118D-01 0.242D-01 0.184D+00 0.804D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=8.01D-05 MaxDP=3.15D-03 DE=-3.21D-04 OVMax= 1.18D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.49D-05    CP:  1.24D+00  1.17D+00  1.05D+00  1.26D+00
 E= -655.851647074251     Delta-E=       -0.000023488088 Rises=F Damp=F
 DIIS: error= 9.28D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -655.851647074251     IErMin= 5 ErrMin= 9.28D-05
 ErrMax= 9.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-06 BMatP= 2.86D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-02-0.353D-01 0.102D-01 0.348D+00 0.676D+00
 Coeff:      0.108D-02-0.353D-01 0.102D-01 0.348D+00 0.676D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.49D-05 MaxDP=1.21D-03 DE=-2.35D-05 OVMax= 7.16D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.23D-05    CP:  1.24D+00  1.17D+00  1.05D+00  1.30D+00  1.05D+00
 E= -655.851651561944     Delta-E=       -0.000004487694 Rises=F Damp=F
 DIIS: error= 2.84D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -655.851651561944     IErMin= 6 ErrMin= 2.84D-05
 ErrMax= 2.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-07 BMatP= 5.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-02-0.189D-01-0.162D-01 0.754D-01 0.311D+00 0.647D+00
 Coeff:      0.172D-02-0.189D-01-0.162D-01 0.754D-01 0.311D+00 0.647D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.09D-05 MaxDP=4.24D-04 DE=-4.49D-06 OVMax= 1.72D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.82D-06    CP:  1.24D+00  1.17D+00  1.05D+00  1.30D+00  1.10D+00
                    CP:  1.17D+00
 E= -655.851652081914     Delta-E=       -0.000000519970 Rises=F Damp=F
 DIIS: error= 4.91D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -655.851652081914     IErMin= 7 ErrMin= 4.91D-06
 ErrMax= 4.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-08 BMatP= 6.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.374D-03-0.169D-02-0.614D-02-0.172D-01 0.186D-01 0.187D+00
 Coeff-Com:  0.819D+00
 Coeff:      0.374D-03-0.169D-02-0.614D-02-0.172D-01 0.186D-01 0.187D+00
 Coeff:      0.819D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.97D-06 MaxDP=3.11D-04 DE=-5.20D-07 OVMax= 5.83D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.95D-06    CP:  1.23D+00  1.17D+00  1.05D+00  1.31D+00  1.12D+00
                    CP:  1.23D+00  1.18D+00
 E= -655.851652125700     Delta-E=       -0.000000043786 Rises=F Damp=F
 DIIS: error= 9.20D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -655.851652125700     IErMin= 8 ErrMin= 9.20D-07
 ErrMax= 9.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-09 BMatP= 3.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.835D-04 0.140D-02 0.455D-03-0.912D-02-0.235D-01-0.394D-01
 Coeff-Com:  0.114D+00 0.956D+00
 Coeff:     -0.835D-04 0.140D-02 0.455D-03-0.912D-02-0.235D-01-0.394D-01
 Coeff:      0.114D+00 0.956D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.44D-06 MaxDP=5.46D-05 DE=-4.38D-08 OVMax= 2.39D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.41D-07    CP:  1.23D+00  1.17D+00  1.05D+00  1.31D+00  1.13D+00
                    CP:  1.25D+00  1.19D+00  1.10D+00
 E= -655.851652129321     Delta-E=       -0.000000003621 Rises=F Damp=F
 DIIS: error= 4.32D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -655.851652129321     IErMin= 9 ErrMin= 4.32D-07
 ErrMax= 4.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-10 BMatP= 2.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.599D-04 0.693D-03 0.604D-03-0.265D-02-0.105D-01-0.300D-01
 Coeff-Com: -0.930D-02 0.381D+00 0.671D+00
 Coeff:     -0.599D-04 0.693D-03 0.604D-03-0.265D-02-0.105D-01-0.300D-01
 Coeff:     -0.930D-02 0.381D+00 0.671D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.08D-07 MaxDP=1.79D-05 DE=-3.62D-09 OVMax= 8.02D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.77D-07    CP:  1.23D+00  1.17D+00  1.05D+00  1.31D+00  1.13D+00
                    CP:  1.25D+00  1.20D+00  1.14D+00  1.01D+00
 E= -655.851652129772     Delta-E=       -0.000000000451 Rises=F Damp=F
 DIIS: error= 1.33D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -655.851652129772     IErMin=10 ErrMin= 1.33D-07
 ErrMax= 1.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-11 BMatP= 4.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.456D-05-0.200D-04 0.103D-03 0.667D-03 0.974D-03-0.313D-02
 Coeff-Com: -0.198D-01-0.444D-01 0.191D+00 0.874D+00
 Coeff:     -0.456D-05-0.200D-04 0.103D-03 0.667D-03 0.974D-03-0.313D-02
 Coeff:     -0.198D-01-0.444D-01 0.191D+00 0.874D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.25D-07 MaxDP=9.74D-06 DE=-4.51D-10 OVMax= 3.97D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.78D-08    CP:  1.23D+00  1.17D+00  1.05D+00  1.31D+00  1.13D+00
                    CP:  1.25D+00  1.20D+00  1.16D+00  1.05D+00  1.03D+00
 E= -655.851652129880     Delta-E=       -0.000000000108 Rises=F Damp=F
 DIIS: error= 5.10D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -655.851652129880     IErMin=11 ErrMin= 5.10D-08
 ErrMax= 5.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-12 BMatP= 3.96D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-05-0.580D-04-0.154D-04 0.371D-03 0.114D-02 0.114D-02
 Coeff-Com: -0.395D-02-0.408D-01-0.430D-02 0.237D+00 0.810D+00
 Coeff:      0.311D-05-0.580D-04-0.154D-04 0.371D-03 0.114D-02 0.114D-02
 Coeff:     -0.395D-02-0.408D-01-0.430D-02 0.237D+00 0.810D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=3.88D-08 MaxDP=1.51D-06 DE=-1.08D-10 OVMax= 1.01D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.96D-08    CP:  1.23D+00  1.17D+00  1.05D+00  1.31D+00  1.13D+00
                    CP:  1.25D+00  1.20D+00  1.16D+00  1.06D+00  1.08D+00
                    CP:  1.03D+00
 E= -655.851652129868     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -655.851652129880     IErMin=12 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-13 BMatP= 3.82D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-05-0.121D-04-0.178D-04-0.496D-05 0.196D-03 0.672D-03
 Coeff-Com:  0.214D-02-0.446D-02-0.316D-01-0.680D-01 0.211D+00 0.890D+00
 Coeff:      0.145D-05-0.121D-04-0.178D-04-0.496D-05 0.196D-03 0.672D-03
 Coeff:      0.214D-02-0.446D-02-0.316D-01-0.680D-01 0.211D+00 0.890D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.61D-08 MaxDP=9.20D-07 DE= 1.18D-11 OVMax= 5.23D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  1.23D+00  1.17D+00  1.05D+00  1.31D+00  1.13D+00
                    CP:  1.25D+00  1.20D+00  1.16D+00  1.06D+00  1.09D+00
                    CP:  1.10D+00  1.08D+00
 E= -655.851652129919     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 6.31D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -655.851652129919     IErMin=13 ErrMin= 6.31D-09
 ErrMax= 6.31D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-14 BMatP= 5.71D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-06 0.501D-05-0.516D-06-0.481D-04-0.987D-04-0.638D-04
 Coeff-Com:  0.868D-03 0.443D-02-0.532D-02-0.411D-01-0.672D-01 0.163D+00
 Coeff-Com:  0.946D+00
 Coeff:     -0.119D-06 0.501D-05-0.516D-06-0.481D-04-0.987D-04-0.638D-04
 Coeff:      0.868D-03 0.443D-02-0.532D-02-0.411D-01-0.672D-01 0.163D+00
 Coeff:      0.946D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=9.62D-09 MaxDP=5.84D-07 DE=-5.14D-11 OVMax= 2.22D-07

 SCF Done:  E(RM11) =  -655.851652130     A.U. after   13 cycles
            NFock= 13  Conv=0.96D-08     -V/T= 2.0120
 KE= 6.480792258971D+02 PE=-3.462658199366D+03 EE= 1.188185218766D+03
 Leave Link  502 at Wed Sep 29 12:00:34 2021, MaxMem=  6442450944 cpu:            3894.9 elap:             487.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.63839111D+02

 Leave Link  801 at Wed Sep 29 12:00:34 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10080 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 3.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.72D-01 7.36D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 3.68D-02 6.29D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 4.43D-03 1.66D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 5.55D-04 4.83D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 7.25D-05 1.79D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.10D-06 4.35D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.04D-07 7.30D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 6.81D-09 1.56D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.93D-10 2.30D-06.
     10 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 6.30D-12 3.23D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.48D-13 5.55D-08.
      2 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 3.04D-14 1.06D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.216660D+03
      2  0.912097D+01  0.135879D+03
      3 -0.425430D+01  0.719583D+01  0.149177D+03
 Isotropic polarizability for W=    0.088559      167.24 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.260225D+03 -0.673259D+02 -0.495099D+02
      2   0.139058D+03  0.649128D+02  0.223632D+01
      3   0.121167D+03  0.241303D+01  0.472736D+02
      4  -0.638083D+00 -0.104249D+03 -0.244630D+02
      5  -0.460928D+02 -0.221283D+02 -0.788370D+02
      6  -0.459982D+01 -0.235206D+02  0.192744D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.579340D+01 -0.170158D+01 -0.654699D+01
      2  -0.402392D+02 -0.141193D+02 -0.378170D+02
      3   0.253455D+02  0.563832D+02  0.743044D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.233466D+01 -0.257569D+02 -0.168614D+02
      2  -0.341711D+01 -0.198632D+02 -0.200004D+03
      3   0.666878D+02  0.243307D+03  0.175285D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.276076D+01  0.683845D+01  0.152867D+01
      2   0.683845D+01  0.164613D+01  0.771360D+00
      3   0.152867D+01  0.771360D+00  0.219179D+00
 OR G Eigenvalues:    -7.8195    -0.0491     6.9732  Iso=     0.2985
 Eigenvectors:
   (1)   0.810434  -0.577454  -0.098706
   (2)  -0.050689  -0.236977   0.970192
   (3)   0.583633   0.781273   0.221325
 w=    0.088559 a.u., Optical Rotation Beta=      0.2985 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       73.37 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 6.53D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.34D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.79D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 3.58D-02 3.02D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.40D-03 9.11D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 6.57D-05 1.23D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 1.69D-06 1.64D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 3.53D-08 2.07D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 4.60D-10 2.70D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 5.50D-12 2.25D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 6.01D-14 2.05D-08.
      6 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 1.57D-14 6.94D-09.
      6 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 4.58D-14 1.96D-08.
      1 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 1.35D-14 8.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   283 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.51D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.51D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.06D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216660D+03  0.912097D+01 -0.425430D+01
      2   0.912097D+01  0.135879D+03  0.719583D+01
      3  -0.425430D+01  0.719583D+01  0.149177D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.579340D+01 -0.170158D+01 -0.654699D+01
      2  -0.402392D+02 -0.141193D+02 -0.378170D+02
      3   0.253455D+02  0.563832D+02  0.743044D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.260225D+03 -0.673259D+02 -0.495099D+02
      2   0.139058D+03  0.649128D+02  0.223632D+01
      3   0.121167D+03  0.241303D+01  0.472736D+02
      4  -0.638083D+00 -0.104249D+03 -0.244630D+02
      5  -0.460928D+02 -0.221283D+02 -0.788370D+02
      6  -0.459982D+01 -0.235206D+02  0.192744D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883098D+01  0.209105D+01 -0.496018D+00 -0.113344D+00 -0.113457D+00
      2   0.209105D+01  0.749769D-01  0.364334D+00 -0.113457D+00 -0.355429D+01
      3  -0.496018D+00  0.364334D+00 -0.122172D+01  0.150548D+01 -0.145497D+01
                 6             7             8             9            10 
      1   0.150548D+01 -0.109574D+02 -0.931884D+00  0.146868D+00 -0.279519D+02
      2  -0.145497D+01 -0.931884D+00 -0.579416D-01  0.122493D+01 -0.289471D+01
      3   0.875122D+00  0.146868D+00  0.122493D+01 -0.150638D+01 -0.411709D+00
                11            12            13            14            15 
      1  -0.289471D+01 -0.411709D+00 -0.607158D+01 -0.472754D+01  0.123108D+01
      2  -0.185036D+01 -0.571136D+00 -0.472754D+01 -0.279385D+01  0.349524D+00
      3  -0.571136D+00 -0.262077D+01  0.123108D+01  0.349524D+00 -0.507895D+00
                16            17            18            19            20 
      1  -0.715668D+00  0.162629D+01 -0.928961D+00 -0.714625D+01 -0.226976D+01
      2   0.162629D+01  0.540998D+00 -0.142774D+00 -0.226976D+01  0.166882D+01
      3  -0.928961D+00 -0.142774D+00  0.157878D+01  0.274760D+00  0.129835D+01
                21            22            23            24            25 
      1   0.274760D+00 -0.719335D+01  0.216345D+00  0.474269D+00 -0.979184D+01
      2   0.129835D+01  0.216345D+00 -0.133499D+01 -0.154934D+01 -0.240870D+01
      3   0.767738D+00  0.474269D+00 -0.154934D+01  0.185225D+01  0.263270D+00
                26            27            28            29            30 
      1  -0.240870D+01  0.263270D+00  0.241236D+02  0.381029D+01 -0.113119D+01
      2  -0.121774D+01  0.119973D+01  0.381029D+01  0.229829D+01  0.496420D-01
      3   0.119973D+01 -0.228512D+01 -0.113119D+01  0.496420D-01  0.239513D+01
                31            32            33            34            35 
      1   0.294764D+01  0.517070D+01 -0.133753D+01 -0.668202D+00 -0.104716D+01
      2   0.517070D+01  0.202101D+01 -0.753612D+00 -0.104716D+01 -0.152301D+01
      3  -0.133753D+01 -0.753612D+00  0.153441D+01  0.870814D+00  0.290284D+00
                36            37            38            39            40 
      1   0.870814D+00 -0.105727D+02 -0.249621D+01  0.106137D+01 -0.458415D+00
      2   0.290284D+00 -0.249621D+01 -0.215224D+00 -0.491988D+00  0.657384D+00
      3   0.917664D+00  0.106137D+01 -0.491988D+00  0.302823D+01 -0.162360D+01
                41            42            43            44            45 
      1   0.657384D+00 -0.162360D+01  0.119695D+02  0.771697D+00 -0.117223D+01
      2   0.358842D+01  0.187410D+01  0.771697D+00  0.690373D+00 -0.142115D+01
      3   0.187410D+01 -0.961855D+00 -0.117223D+01 -0.142115D+01  0.108642D+01
                46            47            48            49            50 
      1   0.877622D+01  0.224785D+01 -0.629298D+00  0.954639D+01 -0.606191D+00
      2   0.224785D+01 -0.145237D+01 -0.117603D+01 -0.606191D+00  0.108260D+01
      3  -0.629298D+00 -0.117603D+01 -0.194016D+01 -0.245811D+00  0.197940D+01
                51            52            53            54            55 
      1  -0.245811D+00  0.935341D+01  0.211782D+01  0.938551D+00  0.154277D+02
      2   0.197940D+01  0.211782D+01  0.127917D+01 -0.119897D+01 -0.738092D+00
      3  -0.324249D+01  0.938551D+00 -0.119897D+01  0.132530D+01  0.129389D+01
                56            57            58            59            60 
      1  -0.738092D+00  0.129389D+01 -0.444673D+01  0.438011D+01 -0.136675D+01
      2   0.132778D+01 -0.616644D+00  0.438011D+01  0.562149D+01  0.173148D+01
      3  -0.616644D+00  0.204184D+01 -0.136675D+01  0.173148D+01  0.961176D-01
                61            62            63            64            65 
      1   0.723648D+01 -0.957096D+00  0.402167D+01 -0.282417D+01  0.427788D+01
      2  -0.957096D+00  0.264655D+01  0.913967D+00  0.427788D+01 -0.709066D+00
      3   0.402167D+01  0.913967D+00 -0.423326D+01  0.355614D-01  0.125782D+01
                66            67            68            69            70 
      1   0.355614D-01  0.118144D+02 -0.166124D+01  0.228925D+01 -0.572888D+01
      2   0.125782D+01 -0.166124D+01 -0.410074D+01 -0.186772D+01  0.132241D+01
      3  -0.308750D+01  0.228925D+01 -0.186772D+01  0.404492D+00 -0.477089D+01
                71            72            73            74            75 
      1   0.132241D+01 -0.477089D+01 -0.329651D+01 -0.455654D+01  0.692118D+00
      2  -0.259424D+01  0.127219D+00 -0.455654D+01  0.106333D+01 -0.125133D+01
      3   0.127219D+00  0.566596D+01  0.692118D+00 -0.125133D+01  0.281825D+01
                76            77            78            79            80 
      1  -0.575463D+01  0.113025D+01 -0.167235D+01  0.154768D+01 -0.166889D+01
      2   0.113025D+01  0.180552D+01  0.247278D+01 -0.166889D+01  0.337951D+01
      3  -0.167235D+01  0.247278D+01 -0.104372D+01  0.382339D+01 -0.160242D+01
                81            82            83            84            85 
      1   0.382339D+01 -0.241439D+01 -0.394955D+01  0.396262D-01 -0.600027D+01
      2  -0.160242D+01 -0.394955D+01  0.657201D+00 -0.161858D+01  0.207064D+01
      3  -0.412898D+01  0.396262D-01 -0.161858D+01  0.343853D+01 -0.208205D+01
                86            87            88            89            90 
      1   0.207064D+01 -0.208205D+01  0.122701D+01 -0.173996D+01  0.494447D+01
      2   0.468552D+01  0.330486D+01 -0.173996D+01  0.324831D+01  0.277537D+00
      3   0.330486D+01 -0.207032D+00  0.494447D+01  0.277537D+00 -0.296054D+01
                91            92            93            94            95 
      1  -0.251355D+01  0.259645D+00 -0.715485D+00  0.379346D+01 -0.550283D+01
      2   0.259645D+00 -0.223635D+01  0.293356D+00 -0.550283D+01 -0.792471D+00
      3  -0.715485D+00  0.293356D+00 -0.132075D+01  0.985829D+00  0.124396D+01
                96            97            98            99           100 
      1   0.985829D+00  0.204157D+01  0.150097D+01 -0.225836D+01 -0.214262D+01
      2   0.124396D+01  0.150097D+01  0.278885D+01 -0.322712D+01 -0.214652D+00
      3  -0.262010D+01 -0.225836D+01 -0.322712D+01 -0.305817D+01  0.198626D+01
               101           102           103           104           105 
      1  -0.214652D+00  0.198626D+01 -0.321113D+00  0.171234D+01 -0.569664D+00
      2   0.119849D+01  0.621723D-03  0.171234D+01 -0.189669D+01 -0.153128D+00
      3   0.621723D-03 -0.976784D+00 -0.569664D+00 -0.153128D+00  0.182350D+01
               106           107           108           109           110 
      1   0.364378D+01 -0.149075D+01 -0.181524D+01  0.465982D+01 -0.116219D+01
      2  -0.149075D+01  0.704111D+00  0.196840D+01 -0.116219D+01  0.619050D+00
      3  -0.181524D+01  0.196840D+01  0.344413D+01 -0.362905D+01  0.255080D+00
               111           112           113           114           115 
      1  -0.362905D+01 -0.258592D+01  0.160460D+01  0.857661D+00 -0.826939D+01
      2   0.255080D+00  0.160460D+01 -0.158483D+01 -0.214898D+01  0.166248D+01
      3   0.229053D+01  0.857661D+00 -0.214898D+01 -0.183093D+01  0.378749D+01
               116           117           118           119           120 
      1   0.166248D+01  0.378749D+01 -0.630140D+00  0.148195D+01  0.131819D+01
      2  -0.305377D+01 -0.131752D+01  0.148195D+01 -0.261620D+01  0.183403D+00
      3  -0.131752D+01 -0.855565D+01  0.131819D+01  0.183403D+00  0.101211D+00
               121           122           123           124           125 
      1   0.195147D+01 -0.256991D+01  0.229815D+00  0.434256D+01 -0.118844D+01
      2  -0.256991D+01  0.277415D+01  0.108408D+01 -0.118844D+01  0.214989D+01
      3   0.229815D+00  0.108408D+01 -0.190063D+00  0.167285D+01 -0.181558D+01
               126           127           128           129           130 
      1   0.167285D+01 -0.206213D+01 -0.115477D+01 -0.170958D+01 -0.157037D+01
      2  -0.181558D+01 -0.115477D+01 -0.101721D+01 -0.103937D+01 -0.899521D+00
      3   0.431950D+01 -0.170958D+01 -0.103937D+01 -0.146571D+01 -0.149327D+01
               131           132           133           134           135 
      1  -0.899521D+00 -0.149327D+01 -0.198132D+01 -0.119593D+01 -0.211947D+01
      2  -0.157155D+01 -0.168261D+01 -0.119593D+01 -0.232253D+01 -0.277841D+01
      3  -0.168261D+01 -0.266830D+01 -0.211947D+01 -0.277841D+01 -0.550735D+01
               136           137           138           139           140 
      1   0.381185D+01 -0.324643D+00 -0.215146D+01 -0.639888D+00  0.178826D+00
      2  -0.324643D+00  0.476615D+00  0.213567D+00  0.178826D+00 -0.497181D+00
      3  -0.215146D+01  0.213567D+00  0.206040D+01  0.592590D+00 -0.518268D+00
               141           142           143           144           145 
      1   0.592590D+00 -0.268977D+01  0.698163D+00  0.281657D+01  0.216280D+01
      2  -0.518268D+00  0.698163D+00 -0.107479D+01 -0.117298D+01  0.126641D+01
      3  -0.160042D+01  0.281657D+01 -0.117298D+01 -0.515885D+01  0.182849D+01
               146           147           148           149           150 
      1   0.126641D+01  0.182849D+01  0.123617D+01  0.803715D+00  0.147310D+01
      2   0.998056D+00  0.109617D+01  0.803715D+00  0.121130D+01  0.156236D+01
      3   0.109617D+01  0.188378D+01  0.147310D+01  0.156236D+01  0.293783D+01
               151           152           153           154           155 
      1   0.186138D+01  0.117295D+01  0.232225D+01 -0.319181D+01  0.301209D+00
      2   0.117295D+01  0.216970D+01  0.275911D+01  0.301209D+00 -0.362437D+00
      3   0.232225D+01  0.275911D+01  0.645487D+01  0.259082D+01 -0.227737D+00
               156           157           158           159           160 
      1   0.259082D+01  0.161173D+00 -0.254909D+00 -0.505150D+00  0.306858D+01
      2  -0.227737D+00 -0.254909D+00  0.340401D+00  0.536223D+00 -0.754251D+00
      3  -0.299745D+01 -0.505150D+00  0.536223D+00  0.171212D+01 -0.330791D+01
               161           162           163           164           165 
      1  -0.754251D+00 -0.330791D+01 -0.212992D+01 -0.742830D-01  0.171943D+01
      2   0.100806D+01  0.112899D+01 -0.742830D-01 -0.659756D+00  0.583037D+00
      3   0.112899D+01  0.669457D+01  0.171943D+01  0.583037D+00 -0.164287D+01
               166           167           168           169           170 
      1   0.158426D+01 -0.756349D+00  0.316262D+00  0.359416D+01  0.751932D+00
      2  -0.756349D+00 -0.985995D+00  0.818827D+00  0.751932D+00  0.118927D+01
      3   0.316262D+00  0.818827D+00 -0.230653D+00 -0.220281D+01 -0.145182D+01
               171           172           173           174           175 
      1  -0.220281D+01 -0.171803D+01 -0.141001D+01 -0.657061D+00 -0.316633D+01
      2  -0.145182D+01 -0.141001D+01 -0.858548D+00  0.290851D-02 -0.263761D+01
      3   0.576903D+01 -0.657061D+00  0.290851D-02 -0.289134D+00 -0.280565D+00
               176           177           178           179           180 
      1  -0.263761D+01 -0.280565D+00 -0.412675D+01 -0.788691D+00 -0.114416D+01
      2  -0.849168D+01 -0.987950D+00 -0.788691D+00 -0.219161D+01 -0.132532D+01
      3  -0.987950D+00 -0.844213D+00 -0.114416D+01 -0.132532D+01 -0.453504D+00
               181           182           183           184           185 
      1   0.175298D+01 -0.709331D+00 -0.144887D+01 -0.139717D+01  0.325429D+00
      2  -0.709331D+00  0.457809D+00 -0.269732D+00  0.325429D+00  0.579274D+00
      3  -0.144887D+01 -0.269732D+00  0.135353D+01 -0.190608D+00 -0.806275D+00
               186           187           188           189           190 
      1  -0.190608D+00 -0.224076D+01 -0.221166D+00  0.104883D+01 -0.144935D+01
      2  -0.806275D+00 -0.221166D+00 -0.986266D+00  0.211793D-01  0.987822D+00
      3   0.130924D+00  0.104883D+01  0.211793D-01 -0.689203D+01  0.148693D+01
               191           192           193           194           195 
      1   0.987822D+00  0.148693D+01  0.525213D+00 -0.611239D+00 -0.440453D-01
      2  -0.921302D+00 -0.315911D+00 -0.611239D+00  0.422281D+00  0.754029D+00
      3  -0.315911D+00 -0.185966D+01 -0.440453D-01  0.754029D+00  0.370060D+00
               196           197           198           199           200 
      1   0.235653D+01 -0.588120D+00 -0.226149D+01 -0.412092D+01  0.322139D+01
      2  -0.588120D+00  0.164093D+01  0.150338D+01  0.322139D+01 -0.286995D+01
      3  -0.226149D+01  0.150338D+01  0.614963D+01 -0.152714D+01  0.100119D+01
               201           202           203           204           205 
      1  -0.152714D+01  0.291852D+01 -0.306732D+01  0.121137D+01 -0.264760D+01
      2   0.100119D+01 -0.306732D+01  0.455676D+01 -0.190179D+01  0.183095D+01
      3  -0.140270D+01  0.121137D+01 -0.190179D+01  0.130814D+01 -0.205488D+01
               206           207           208           209           210 
      1   0.183095D+01 -0.205488D+01  0.812899D+01  0.164566D+01  0.217629D+00
      2  -0.294753D+01  0.187545D+01  0.164566D+01  0.255193D+01  0.157449D+00
      3   0.187545D+01 -0.182332D+01  0.217629D+00  0.157449D+00  0.479177D+00
               211           212           213           214           215 
      1   0.120312D+01  0.179417D+01  0.112723D+00  0.334457D+00  0.757165D-01
      2   0.179417D+01  0.206411D+01 -0.153105D+00  0.757165D-01 -0.398976D+00
      3   0.112723D+00 -0.153105D+00  0.523504D+00  0.261880D+00  0.691102D+00
               216           217           218           219           220 
      1   0.261880D+00 -0.319860D+01 -0.108331D+00  0.193577D+01  0.384051D+00
      2   0.691102D+00 -0.108331D+00 -0.587925D+00  0.392519D+00 -0.105240D+01
      3   0.371297D+00  0.193577D+01  0.392519D+00 -0.190064D+01  0.344144D+00
               221           222           223           224           225 
      1  -0.105240D+01  0.344144D+00  0.437920D+01  0.914581D+00 -0.321973D+01
      2  -0.815115D+00  0.552934D+00  0.914581D+00  0.109202D+01 -0.628830D+00
      3   0.552934D+00 -0.183431D+00 -0.321973D+01 -0.628830D+00  0.525593D+01
               226           227           228           229           230 
      1  -0.214873D+00 -0.996775D+00 -0.492890D+00 -0.240133D+01 -0.249895D+01
      2  -0.996775D+00 -0.517933D+00 -0.944447D-01 -0.249895D+01 -0.776306D+01
      3  -0.492890D+00 -0.944447D-01 -0.426058D+00 -0.701933D+00 -0.244081D+01
               231           232           233           234           235 
      1  -0.701933D+00 -0.120939D+01 -0.629273D+00 -0.130302D+01 -0.649889D+01
      2  -0.244081D+01 -0.629273D+00 -0.248025D+01 -0.178301D+01  0.197959D+01
      3  -0.173909D+01 -0.130302D+01 -0.178301D+01 -0.142179D+01 -0.261253D+01
               236           237           238           239           240 
      1   0.197959D+01 -0.261253D+01  0.476332D+01 -0.210220D+01  0.170745D+01
      2  -0.122123D+01  0.862187D+00 -0.210220D+01  0.172958D+01 -0.149491D+01
      3   0.862187D+00 -0.201054D+01  0.170745D+01 -0.149491D+01  0.149186D+01
               241           242           243           244           245 
      1  -0.424135D+01  0.103122D+01 -0.328343D+01  0.137063D-01  0.324914D+00
      2   0.103122D+01 -0.153311D+01  0.996550D+00  0.324914D+00  0.738381D+00
      3  -0.328343D+01  0.996550D+00 -0.261173D+01  0.177661D+01  0.384211D+00
               246           247           248           249           250 
      1   0.177661D+01  0.428182D+00  0.132831D+01  0.520786D+00  0.286645D+01
      2   0.384211D+00  0.132831D+01  0.172656D+01  0.122705D+01  0.668468D+00
      3   0.109308D+01  0.520786D+00  0.122705D+01  0.170651D+01  0.173261D+01
               251           252           253           254           255 
      1   0.668468D+00  0.173261D+01 -0.775735D+01 -0.527354D+01  0.757113D+00
      2   0.164177D+01  0.162477D+01 -0.527354D+01  0.167571D+01  0.472893D+00
      3   0.162477D+01  0.519094D+01  0.757113D+00  0.472893D+00  0.908513D+00
               256           257           258           259           260 
      1  -0.209750D+01  0.322927D+01 -0.542223D+00 -0.287219D+01 -0.106411D+01
      2   0.322927D+01 -0.618393D+00 -0.198509D+01 -0.106411D+01 -0.337916D+01
      3  -0.542223D+00 -0.198509D+01  0.268219D+01  0.215337D+01  0.268908D+01
               261           262           263           264           265 
      1   0.215337D+01  0.350343D+01 -0.276982D+01  0.829018D+00 -0.365774D+01
      2   0.268908D+01 -0.276982D+01  0.285855D+01 -0.560834D+00  0.392205D+01
      3   0.265010D+01  0.829018D+00 -0.560834D+00  0.796997D+00 -0.755958D+00
               266           267           268           269           270 
      1   0.392205D+01 -0.755958D+00 -0.836646D+00  0.858624D+00  0.401902D+00
      2  -0.565893D+01  0.102467D+01  0.858624D+00 -0.940263D+00 -0.440486D+00
      3   0.102467D+01 -0.121867D+01  0.401902D+00 -0.440486D+00  0.371618D+00
               271           272           273           274           275 
      1  -0.146697D+01  0.212975D+01  0.114679D+00  0.187726D+01 -0.154112D+01
      2   0.212975D+01 -0.334347D+01  0.238728D+00 -0.154112D+01  0.662201D+01
      3   0.114679D+00  0.238728D+00 -0.787511D+00 -0.467347D-01  0.113209D-01
               276           277           278           279           280 
      1  -0.467347D-01  0.781101D+00  0.239958D-01 -0.556143D+00  0.340738D+00
      2   0.113209D-01  0.239958D-01  0.141852D+01  0.581502D+00  0.186765D+00
      3   0.663949D+00 -0.556143D+00  0.581502D+00  0.193524D-01 -0.914316D+00
               281           282           283           284           285 
      1   0.186765D+00 -0.914316D+00 -0.606419D+00 -0.554476D+00  0.567192D-01
      2  -0.467725D+00  0.390298D-01 -0.554476D+00 -0.874431D+00 -0.347153D+00
      3   0.390298D-01 -0.766242D+00  0.567192D-01 -0.347153D+00 -0.117489D+01
               286           287           288           289           290 
      1  -0.155026D+01 -0.311989D+00  0.365579D-01  0.117682D+02  0.489102D+01
      2  -0.311989D+00 -0.125310D+01  0.327376D-01  0.489102D+01  0.324207D+01
      3   0.365579D-01  0.327376D-01 -0.615701D+01 -0.143166D+01 -0.912765D+00
               291           292           293           294           295 
      1  -0.143166D+01  0.334749D+01  0.263314D+01 -0.450301D+00 -0.764346D-01
      2  -0.912765D+00  0.263314D+01  0.250321D+01 -0.281897D+00 -0.418556D-01
      3   0.125928D+01 -0.450301D+00 -0.281897D+00  0.150784D+00  0.115535D+01
               296           297 
      1  -0.418556D-01  0.115535D+01
      2   0.366245D+00  0.400468D+00
      3   0.400468D+00 -0.511399D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.188874D+01  0.597106D+00 -0.238502D+01  0.545818D+01  0.585711D+00
      2  -0.125005D+02  0.235835D+01  0.846244D+01  0.391994D+01 -0.279810D+00
      3  -0.341036D+01 -0.344971D+01 -0.391578D+01  0.119276D+02  0.446511D-01
                 6             7             8             9            10 
      1  -0.301972D+01 -0.434772D+01  0.216671D+01  0.776729D+00 -0.483245D+01
      2  -0.328485D+00  0.314245D+01 -0.132702D+01 -0.403895D+01  0.174031D+02
      3  -0.352319D+01 -0.178007D+01  0.727008D+00  0.433038D+01  0.255192D+01
                11            12            13            14            15 
      1   0.415142D+00  0.162978D+01  0.743664D+00 -0.445094D+01 -0.706066D+01
      2   0.135076D+01 -0.259323D+01 -0.512259D+00  0.159572D+01 -0.217618D+01
      3   0.122449D+01  0.924413D+00  0.122449D+02 -0.620025D+00 -0.969560D+00
                16            17            18            19            20 
      1   0.833006D+01  0.703285D-01  0.361075D+01 -0.526365D+00 -0.880029D+00
      2  -0.211906D+02 -0.177205D+01  0.336734D+01  0.792495D+01  0.267219D+01
      3   0.560554D+01 -0.161671D+01 -0.344013D+01 -0.449958D+01 -0.118405D+01
                21            22            23            24            25 
      1   0.281968D+00 -0.703713D+01 -0.369724D+01 -0.200054D+01  0.105780D+01
      2   0.533791D+01  0.729537D+01  0.352186D+01  0.135791D+01  0.190170D+01
      3  -0.659154D+00  0.112339D+02  0.266652D+01  0.246317D+01 -0.493043D+01
                26            27            28            29            30 
      1   0.236661D+01 -0.154533D+01  0.217687D+01  0.247512D+01  0.391006D+01
      2   0.140696D+01  0.139867D+01 -0.137321D+02 -0.351241D+01 -0.914097D+00
      3  -0.122023D+00 -0.154207D+01 -0.335476D+01 -0.416017D+00  0.158903D+01
                31            32            33            34            35 
      1   0.606266D+01 -0.175896D+01 -0.766122D+01  0.607245D+01  0.890184D-01
      2  -0.581852D+01 -0.531686D+01 -0.129114D+01 -0.214344D+02 -0.227445D+01
      3   0.830802D+01  0.442772D+01 -0.367523D-02  0.264436D+01  0.243226D+01
                36            37            38            39            40 
      1   0.362256D+01 -0.364981D+01 -0.245988D+00 -0.120640D+01  0.409005D+01
      2   0.250486D+01  0.623824D+01  0.489777D+01  0.503357D+01  0.425875D+01
      3  -0.334823D+01 -0.190926D+01 -0.274677D+01 -0.353983D+01  0.100834D+02
                41            42            43            44            45 
      1   0.376637D+01 -0.108230D+01 -0.515229D+00  0.235634D+01 -0.642668D-01
      2   0.888968D+00 -0.370095D+00 -0.130520D+02 -0.282235D+01  0.213645D+00
      3  -0.101517D+01 -0.396157D+01  0.762968D+00 -0.109695D+01  0.324380D+01
                46            47            48            49            50 
      1   0.447464D+01 -0.173872D+01 -0.810033D+00 -0.595776D+01 -0.120645D+01
      2  -0.753280D+01 -0.186842D+01  0.428877D+01 -0.502962D+01  0.428782D+00
      3  -0.422669D+01 -0.132602D+01 -0.536385D+00  0.909422D+01  0.277976D+01
                51            52            53            54            55 
      1  -0.219011D+01  0.425467D+01  0.336891D+01 -0.284306D+00  0.428434D+01
      2   0.300203D+01 -0.944892D+01 -0.134792D+01 -0.563587D+00 -0.907200D+01
      3   0.343173D+01 -0.588761D+01  0.535560D+00 -0.137603D+01 -0.119699D+02
                56            57            58            59            60 
      1  -0.123997D+01  0.146006D+01 -0.335470D+01  0.637321D+01 -0.166679D+01
      2   0.149091D+01 -0.291211D+01  0.486913D+01 -0.997544D+01 -0.376189D+00
      3   0.183477D+01 -0.249038D+01  0.258331D+02  0.140628D+02  0.766741D+01
                61            62            63            64            65 
      1   0.498438D+01  0.390345D+01 -0.553602D+01 -0.452754D+01  0.586335D+00
      2  -0.250147D+02 -0.278455D+01  0.152184D+02  0.440125D+01 -0.377538D+01
      3  -0.893304D+01  0.902940D+01 -0.235112D+01  0.235244D+02 -0.770729D+01
                66            67            68            69            70 
      1  -0.236948D+00  0.439895D+00  0.121536D+01 -0.181922D+01 -0.402422D+01
      2   0.170525D+02 -0.102257D+02  0.924457D+01  0.787479D-01  0.177020D+02
      3   0.562880D+01 -0.679436D+01 -0.156333D+02 -0.823633D+01  0.110949D+02
                71            72            73            74            75 
      1   0.521602D+01 -0.675907D+00 -0.464592D+00  0.291461D+01 -0.555333D+01
      2  -0.755067D+00 -0.285537D+02 -0.173461D+01  0.668260D+01 -0.933792D+01
      3  -0.104124D+02  0.246740D+01 -0.271078D+02 -0.838751D+01 -0.470491D+01
                76            77            78            79            80 
      1   0.344982D+01 -0.688239D+01  0.191606D+00 -0.762532D+01  0.651470D+01
      2   0.843377D+01 -0.982786D+01  0.457798D+01 -0.179152D+02  0.680485D+01
      3  -0.219760D+01  0.819429D+01  0.711486D+01 -0.616807D+01  0.999593D+01
                81            82            83            84            85 
      1   0.797201D+01  0.249417D+01 -0.120663D+01  0.337465D+01 -0.250360D+01
      2   0.166579D+02 -0.250854D+01  0.686517D+01 -0.173898D+02  0.873386D+01
      3  -0.132326D+01 -0.205405D+02  0.456426D+01 -0.916982D+01  0.211738D+02
                86            87            88            89            90 
      1  -0.248724D+00 -0.373444D+01  0.522763D+01  0.448973D+00 -0.175334D+01
      2  -0.184177D+02 -0.107789D+01 -0.325815D+02 -0.333062D+01  0.190682D+02
      3   0.265032D+02  0.207934D+02 -0.990282D+01  0.194134D+02 -0.224450D+01
                91            92            93            94            95 
      1  -0.176753D+01 -0.226402D+00  0.215111D+01  0.110747D+01 -0.814616D+00
      2  -0.116292D+00  0.788999D+00  0.442383D+00  0.174830D+01  0.590332D+01
      3  -0.994798D+01  0.164373D+01 -0.514496D+00  0.315574D+02 -0.106727D+01
                96            97            98            99           100 
      1  -0.101050D+01  0.556659D+01  0.756581D+01  0.279417D+01  0.202503D+01
      2  -0.957266D+01 -0.152397D+02 -0.116300D+02 -0.107578D+02  0.168925D+01
      3  -0.452491D+01 -0.160275D+01 -0.663235D+01  0.814478D+01  0.215703D+02
               101           102           103           104           105 
      1   0.310329D+01 -0.549440D+01 -0.523922D+00  0.116618D+01 -0.370881D+01
      2  -0.419039D+00  0.263861D+00 -0.167738D+00 -0.147558D+01  0.143271D+02
      3  -0.981698D+01  0.164480D+01 -0.179513D+01 -0.574109D+01 -0.719386D+00
               106           107           108           109           110 
      1  -0.407374D+01 -0.448260D+01  0.159400D+01 -0.188956D+01 -0.319327D+01
      2  -0.610637D+01  0.854491D+01  0.174744D+02 -0.108766D+02  0.983696D+00
      3   0.699070D+01 -0.597434D+01 -0.677854D+01 -0.181554D+01 -0.467743D+01
               111           112           113           114           115 
      1   0.265281D+01 -0.727948D+00  0.557376D+00 -0.282631D+01  0.473232D+00
      2   0.110978D+02 -0.707197D+00 -0.834499D+01 -0.971371D+01  0.532306D+01
      3  -0.455239D+00 -0.466036D+01  0.962984D+01  0.869839D+01 -0.887284D+01
               116           117           118           119           120 
      1   0.786449D+01 -0.618385D+01  0.300431D+01 -0.142431D+01  0.823450D+00
      2  -0.431017D+01 -0.360074D+02  0.602226D+01 -0.964685D+00  0.246405D+01
      3   0.134334D+02  0.612361D+01 -0.717175D+01  0.705600D+01 -0.242854D+01
               121           122           123           124           125 
      1  -0.186515D+01  0.273957D+01 -0.227515D+01 -0.296974D+01  0.684046D+01
      2   0.121899D+01  0.681016D+01 -0.252424D+01 -0.440529D+00 -0.459274D+01
      3   0.864379D+01 -0.658554D+01 -0.461975D+01  0.430605D+01 -0.847608D+01
               126           127           128           129           130 
      1   0.471325D+01 -0.590275D+00  0.133417D+01 -0.485962D+00 -0.759675D+00
      2   0.175775D+02 -0.382497D+01 -0.660614D+00 -0.698645D+00 -0.185569D+01
      3   0.578120D+01  0.227567D+01 -0.162225D+00  0.743233D+00  0.306765D+01
               131           132           133           134           135 
      1   0.353438D+00 -0.308597D+01 -0.871258D+00  0.227487D+01 -0.247495D+01
      2   0.140293D+00  0.467581D+00 -0.336339D+01  0.321462D+00  0.177763D+01
      3  -0.829696D+00  0.333674D+00  0.195673D+01 -0.156499D+01 -0.298683D+00
               136           137           138           139           140 
      1  -0.119636D+01 -0.172886D+01  0.183562D+01  0.781631D-01  0.147134D+00
      2   0.655747D+01 -0.482521D+00 -0.109022D+01  0.630625D+00  0.681522D-01
      3  -0.304309D+01 -0.793012D+00  0.140907D+01  0.963162D+00  0.590173D+00
               141           142           143           144           145 
      1  -0.177197D+01  0.786540D+00  0.295525D+01 -0.112044D+01  0.137467D+01
      2  -0.891259D+00 -0.444152D+01  0.135637D+00 -0.102521D+01 -0.475942D+01
      3  -0.380739D+00  0.148501D+01  0.159737D+01 -0.913993D+00  0.877431D+00
               146           147           148           149           150 
      1   0.246475D+01  0.510668D+00  0.171932D+00  0.145217D+01 -0.143120D+01
      2  -0.154730D+01 -0.114428D+01 -0.262017D+01 -0.667144D+00 -0.484605D+00
      3  -0.699608D+00  0.678620D-01  0.193709D+01 -0.555565D+00 -0.160377D-01
               151           152           153           154           155 
      1   0.721934D+00  0.437641D+01  0.431199D+00  0.111084D+00 -0.209520D+01
      2  -0.393587D+01 -0.576015D+00  0.290584D+00  0.625358D+01 -0.469038D+00
      3   0.740428D+00 -0.206372D+01 -0.796713D+00 -0.117914D+01 -0.114120D+01
               156           157           158           159           160 
      1   0.658945D+00  0.674402D-01  0.521127D+00 -0.103059D+01 -0.148747D+01
      2  -0.105044D+01  0.662481D+00  0.342006D-01 -0.114749D+01 -0.553387D+01
      3   0.596564D+00  0.133078D+01  0.372278D+00  0.276503D-01  0.380603D-01
               161           162           163           164           165 
      1   0.394197D+01  0.124087D+01  0.203805D+01 -0.238097D+00 -0.182535D+01
      2   0.648304D+00 -0.844404D+00 -0.506001D+01 -0.182826D+01  0.582359D+01
      3   0.186424D+01 -0.350101D+00  0.269511D+01 -0.295278D+01 -0.182045D+00
               166           167           168           169           170 
      1   0.729165D+00  0.276073D+00 -0.828287D+00 -0.210194D+01  0.142383D+01
      2  -0.206280D+01 -0.179838D+01  0.226417D+00  0.121794D+01  0.387209D+01
      3  -0.158348D+01 -0.220371D+01  0.182555D+01 -0.163837D+01  0.351991D+01
               171           172           173           174           175 
      1   0.718465D+01 -0.137820D+01 -0.322153D+00 -0.966606D+00 -0.131105D+01
      2  -0.180341D+02  0.394456D+01  0.719891D+00  0.251681D+01  0.231002D+01
      3  -0.996747D+00 -0.193001D+01 -0.191828D+01  0.463601D+00 -0.164545D+01
               176           177           178           179           180 
      1  -0.478030D+01 -0.396792D+01 -0.190221D+01 -0.187852D+01 -0.141573D+01
      2   0.614018D+01  0.338847D+01  0.395427D+01  0.473609D+01  0.135801D+01
      3  -0.233713D+02 -0.234811D+01  0.189537D+01 -0.636845D+01 -0.250185D+01
               181           182           183           184           185 
      1   0.138897D+01 -0.113999D+01 -0.765265D-02 -0.401024D+00 -0.589140D+00
      2   0.997039D+01  0.479676D+00 -0.678523D+01 -0.171360D+00  0.372945D+01
      3  -0.290798D+01  0.114500D+01 -0.672073D+00  0.344797D+01  0.227451D+01
               186           187           188           189           190 
      1  -0.443381D+00 -0.363061D+00  0.301898D+01  0.441631D+00 -0.288221D+01
      2  -0.320486D+00 -0.106996D+02 -0.782304D-01  0.292078D+02 -0.551165D+01
      3  -0.305938D+01 -0.636765D+00 -0.322068D+01  0.171367D+00  0.242194D+01
               191           192           193           194           195 
      1  -0.270908D+00  0.367934D+01  0.890019D-01 -0.119209D+01 -0.162579D+01
      2   0.120118D+01  0.775461D+01  0.111801D+00 -0.263834D+01 -0.104344D+01
      3  -0.331694D+01  0.803825D+00 -0.339261D+00  0.582818D+00  0.262556D+01
               196           197           198           199           200 
      1   0.403350D+01  0.402349D+00 -0.121416D+02  0.283733D+01 -0.151503D+01
      2   0.494686D+01 -0.563832D+01 -0.247455D+02  0.609003D+01 -0.428738D+01
      3   0.173666D+01  0.685259D+01  0.304579D+01  0.587505D+01 -0.828905D+01
               201           202           203           204           205 
      1   0.403422D+01 -0.291672D+01  0.298322D+01 -0.410245D+01  0.401944D+01
      2   0.728261D+01 -0.471790D+01  0.795775D+01 -0.640835D+01  0.720340D+01
      3   0.150258D+01 -0.478445D+01  0.144870D+02 -0.537278D+01  0.241649D+01
               206           207           208           209           210 
      1  -0.183169D+01  0.403148D+01 -0.154981D+01 -0.391850D+00 -0.204538D+01
      2  -0.767771D+01  0.778708D+01 -0.224227D+01 -0.986454D+00 -0.803335D+00
      3  -0.992128D+01  0.443521D+01  0.263174D+02  0.117433D+02  0.135119D+01
               211           212           213           214           215 
      1  -0.697378D+00  0.488458D+00 -0.180830D+01 -0.183617D+01 -0.253615D-01
      2  -0.101196D+01  0.471991D+00 -0.957422D+00 -0.388536D+01 -0.228888D+01
      3   0.123218D+02  0.102148D+02 -0.349903D+00  0.167627D+01 -0.133289D+01
               216           217           218           219           220 
      1  -0.105272D+01  0.142813D+01 -0.946790D-01 -0.176835D+01  0.618352D+00
      2  -0.145945D+01 -0.117359D+02 -0.227241D+01  0.127459D+02 -0.181767D+01
      3   0.330286D+01  0.153550D+01 -0.427413D+01  0.736236D+00 -0.453214D+01
               221           222           223           224           225 
      1   0.577151D+00 -0.110907D+01 -0.231674D+01  0.153766D+01  0.410162D+01
      2  -0.328137D+01  0.129427D+01  0.167157D+02  0.362484D+01 -0.321027D+02
      3  -0.365882D+01  0.252005D+01  0.166035D+01  0.632122D+01 -0.817073D+00
               226           227           228           229           230 
      1   0.457740D+00  0.246552D+00 -0.348539D+00  0.789313D+00  0.366124D+01
      2   0.294879D+01 -0.116430D+00  0.251279D+01  0.166527D+01  0.125998D+02
      3  -0.560112D+01 -0.285813D+01 -0.238772D+00 -0.816880D+01 -0.407682D+02
               231           232           233           234           235 
      1  -0.226188D+01 -0.547123D+00  0.131293D+01 -0.574595D+00 -0.291671D+01
      2   0.982159D+01  0.485597D+01  0.940332D+01  0.684796D+01  0.100389D+02
      3  -0.127978D+02 -0.180852D+01 -0.134111D+02 -0.843443D+01  0.142846D+02
               236           237           238           239           240 
      1   0.208481D+01 -0.127633D+01  0.226475D+01 -0.278135D+01  0.791966D+00
      2  -0.359256D+01  0.117937D+02 -0.627187D+01  0.723120D+01 -0.823559D+01
      3  -0.102286D+02  0.645152D+01 -0.126704D+02  0.117711D+02 -0.933094D+01
               241           242           243           244           245 
      1  -0.227003D+01  0.317791D+01 -0.156551D+01 -0.198943D+01 -0.232009D-01
      2   0.141676D+02 -0.500661D+01  0.131064D+02  0.609781D+01  0.150493D+01
      3   0.776830D+01 -0.103279D+02  0.748027D+01 -0.988758D+00 -0.266527D+01
               246           247           248           249           250 
      1  -0.118935D+01 -0.418449D+00 -0.324342D+00 -0.233428D+01 -0.133548D+01
      2   0.340400D+01  0.140215D+01  0.319432D+01  0.555593D+01  0.735624D+00
      3   0.228360D+00 -0.213216D+01 -0.409664D+01 -0.310081D+01  0.356686D+00
               251           252           253           254           255 
      1   0.124750D+01 -0.527367D+01  0.338806D+01 -0.355025D+01 -0.430561D+01
      2   0.481298D+01  0.162221D+02 -0.550263D+01 -0.437004D+01  0.716483D+01
      3  -0.419440D+01 -0.380256D+01  0.189194D+01 -0.191165D+02 -0.167327D+00
               256           257           258           259           260 
      1  -0.715239D+00  0.743694D+01 -0.689980D+01 -0.395453D+01 -0.852657D+00
      2  -0.620781D+01 -0.546590D+01  0.953335D+01  0.665439D+01  0.101445D+02
      3  -0.151159D+02  0.762981D+01  0.641531D+01  0.107921D+01  0.977132D+01
               261           262           263           264           265 
      1  -0.111177D+02 -0.220904D+01  0.267973D+01  0.788758D+00  0.357857D+01
      2   0.113956D+02  0.129944D+00  0.276266D+00  0.291577D+01  0.432569D+00
      3  -0.620298D+01  0.719814D+01 -0.954718D+01  0.241728D+01 -0.106575D+02
               266           267           268           269           270 
      1  -0.497028D+01 -0.112804D+01  0.615373D+00 -0.629311D+00 -0.758874D+00
      2   0.411795D+00 -0.462191D+01  0.130984D+01 -0.194549D+01  0.603154D+00
      3   0.201984D+02 -0.325641D+01 -0.254189D+01  0.353805D+01  0.146253D+01
               271           272           273           274           275 
      1  -0.265493D+01  0.264392D+01  0.315746D+01  0.192026D+01 -0.623439D+01
      2  -0.157704D+01  0.250557D+01 -0.147085D+01  0.187411D+01 -0.204792D+01
      3  -0.122523D+02  0.135684D+02  0.132979D+00  0.111588D+02 -0.234837D+02
               276           277           278           279           280 
      1  -0.325443D+01  0.217294D+01 -0.126496D+01 -0.968393D+00  0.276872D+01
      2   0.104029D+01 -0.236906D+01  0.125817D+01 -0.473704D+00 -0.424974D+01
      3  -0.439794D+00  0.216106D+01 -0.423040D+01 -0.309373D+01 -0.380273D+00
               281           282           283           284           285 
      1   0.117591D+01  0.210517D+01  0.113438D+01  0.385165D+01  0.265775D+01
      2  -0.526843D+00 -0.329778D+01 -0.218620D+01 -0.193902D+01 -0.430585D+01
      3   0.131274D+01 -0.142894D+01  0.195177D+01  0.187176D+01  0.104523D+01
               286           287           288           289           290 
      1   0.119246D+01  0.439472D+01  0.143200D+02 -0.111605D+01 -0.119588D+01
      2  -0.411706D+01 -0.889083D+00 -0.199723D+02  0.471643D+01  0.500542D+00
      3  -0.159275D+01  0.303001D+01 -0.312358D+00  0.664623D+01 -0.435967D+01
               291           292           293           294           295 
      1  -0.314883D+01 -0.149330D+01 -0.181990D+01 -0.108251D+01 -0.239583D+01
      2   0.571050D+01  0.181727D+01  0.110385D+01  0.117528D+01  0.261476D+01
      3   0.815371D+00 -0.878347D+00 -0.410030D+01 -0.737160D-01 -0.792520D-01
               296           297 
      1   0.705725D-01  0.126917D+01
      2   0.762015D+00 -0.137568D+01
      3  -0.109498D+01  0.935907D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.457796D+01 -0.459140D+01 -0.202321D+02  0.875170D+01 -0.114097D+02
      2  -0.875102D+00 -0.673641D+00  0.365060D+01  0.796271D-01  0.184090D+02
      3   0.545306D+01  0.526504D+01  0.165815D+02 -0.883133D+01 -0.699929D+01
      4  -0.650032D+01 -0.363252D+01 -0.833766D+01  0.216641D+01 -0.111013D+01
      5  -0.195539D+02 -0.695697D+01  0.545752D+00 -0.705481D+01 -0.197331D+01
      6  -0.100164D+02 -0.532960D+00  0.171915D+00 -0.279652D+01  0.171903D+00
                 6             7             8             9            10 
      1  -0.325210D+01  0.261575D+02  0.115488D+02  0.154935D+02  0.501741D+02
      2   0.757689D+01 -0.582137D+01 -0.178957D+01 -0.608400D+01 -0.186140D+02
      3  -0.432480D+01 -0.203361D+02 -0.975927D+01 -0.940948D+01 -0.315601D+02
      4  -0.108861D+01  0.464340D+01  0.211448D+01 -0.349509D+01  0.298905D+01
      5  -0.688337D+01  0.134795D+02 -0.349604D+01 -0.486408D+01  0.772519D+01
      6   0.166332D+01 -0.529782D+01 -0.427477D+01 -0.117075D+02  0.677503D+00
                11            12            13            14            15 
      1   0.370419D+01  0.452630D+01  0.135691D+01 -0.295712D+01 -0.797068D+01
      2  -0.134244D+00  0.246220D+01  0.311758D+01  0.798744D+01  0.256390D+01
      3  -0.356994D+01 -0.698850D+01 -0.447449D+01 -0.503032D+01  0.540678D+01
      4   0.192369D+01  0.305607D+01  0.138800D+02  0.338391D+01 -0.137637D+00
      5   0.406196D+01  0.635328D+01 -0.976325D+01  0.516426D+00  0.161860D+01
      6   0.394534D+00  0.200611D+01 -0.743801D+01 -0.532348D+01  0.855357D+01
                16            17            18            19            20 
      1   0.101767D+02 -0.832938D+01 -0.196345D+02  0.371934D+01  0.119519D+02
      2  -0.599541D+01 -0.376443D+01  0.214450D+01  0.522700D+01 -0.832030D+01
      3  -0.418129D+01  0.120938D+02  0.174900D+02 -0.894634D+01 -0.363158D+01
      4  -0.128408D+02 -0.440534D+00 -0.264251D+01  0.255448D+01  0.547474D+01
      5  -0.153467D+02 -0.108845D+01 -0.170279D+01  0.197238D+02  0.336347D+01
      6  -0.421451D+01  0.160566D+01  0.630102D+01  0.709991D+01 -0.162130D+01
                21            22            23            24            25 
      1   0.210590D+02 -0.725963D+01 -0.216705D+01  0.158269D+02 -0.192196D+02
      2  -0.901166D+01 -0.296455D+01  0.609259D+01 -0.168549D+00  0.301567D+01
      3  -0.120473D+02  0.102242D+02 -0.392554D+01 -0.156583D+02  0.162039D+02
      4   0.456731D+01  0.760068D+01 -0.609086D+01 -0.132111D+00 -0.215372D+01
      5  -0.474108D+01  0.964783D+01  0.172502D+01  0.680281D+00  0.984810D+01
      6  -0.544841D+01  0.353680D+01 -0.640696D+00  0.384066D+01  0.123893D+02
                26            27            28            29            30 
      1   0.436408D+01  0.737992D+01  0.654978D+01  0.143119D+01 -0.233298D+01
      2  -0.812283D+00  0.111369D+01  0.691385D+00  0.500525D+00 -0.125063D+01
      3  -0.355180D+01 -0.849360D+01 -0.724116D+01 -0.193172D+01  0.358361D+01
      4   0.766315D-02  0.732897D+01  0.519375D+01  0.409572D+01  0.558642D+00
      5   0.634013D+01  0.616457D+01 -0.821822D+00  0.452997D+00  0.726049D+01
      6   0.549162D+01 -0.760048D+01 -0.644664D+01  0.195617D+01  0.195565D+01
                31            32            33            34            35 
      1  -0.918845D+01 -0.275307D+01 -0.815846D+01  0.563166D+01 -0.604290D+01
      2   0.714559D+01  0.535244D+01  0.281041D+00 -0.649467D+01 -0.647519D+01
      3   0.204285D+01 -0.259937D+01  0.787742D+01  0.863012D+00  0.125181D+02
      4   0.164739D+02  0.723269D-01 -0.323875D+01 -0.115238D+02 -0.661771D+01
      5  -0.137925D+02 -0.291868D+01  0.293449D+01 -0.161131D+02 -0.957518D+00
      6  -0.202924D+01 -0.381826D+01  0.778792D+01 -0.745009D+01  0.979370D+00
                36            37            38            39            40 
      1  -0.237233D+02  0.104747D+02 -0.247601D+01 -0.250358D+02  0.617552D+01
      2   0.532785D+01 -0.880460D+01 -0.146814D+01  0.343841D+01  0.368238D+01
      3   0.183955D+02 -0.167013D+01  0.394415D+01  0.215974D+02 -0.985791D+01
      4  -0.411102D+00 -0.922133D+01 -0.499954D+01 -0.881344D+01  0.832333D+01
      5   0.164229D+01 -0.980572D+01 -0.616514D+01 -0.424219D+01 -0.494648D+01
      6   0.723014D+01 -0.680208D+01  0.325615D+00 -0.365978D+01 -0.228297D+01
                41            42            43            44            45 
      1  -0.995461D+01  0.354641D+00  0.169400D+02  0.993339D+01  0.113617D+02
      2   0.137840D+02  0.734655D+01  0.129982D+00  0.186638D+01 -0.584322D+01
      3  -0.382938D+01 -0.770119D+01 -0.170700D+02 -0.117998D+02 -0.551850D+01
      4   0.314498D-01 -0.975869D+00  0.112730D+01  0.449260D+01 -0.448375D+01
      5  -0.727815D+00 -0.108947D+02  0.822929D+01 -0.511603D+01 -0.385607D+01
      6   0.349176D+01  0.521092D+01 -0.757083D+01 -0.334308D+01 -0.135847D+02
                46            47            48            49            50 
      1  -0.642190D+01  0.764488D+01  0.205895D+02 -0.234934D+02 -0.399872D+01
      2   0.917288D+01 -0.331727D+01 -0.808168D+01  0.721320D+01  0.376133D+01
      3  -0.275097D+01 -0.432761D+01 -0.125078D+02  0.162802D+02  0.237392D+00
      4   0.425750D+00  0.738421D+01  0.420655D+01  0.105109D+02 -0.391938D+01
      5   0.124292D+02  0.999902D+00 -0.951264D+01  0.475118D+01 -0.218242D+01
      6   0.462029D+01 -0.340964D+01 -0.731528D+01  0.107112D+01 -0.162454D+01
                51            52            53            54            55 
      1   0.207207D+02 -0.289300D+02  0.388289D+01  0.105068D+01 -0.480735D+02
      2   0.768162D+00  0.421728D+01  0.226667D+00  0.352417D+01  0.210503D+02
      3  -0.214888D+02  0.247127D+02 -0.410956D+01 -0.457486D+01  0.270233D+02
      4  -0.290067D+00 -0.434762D+01 -0.819993D+00  0.607016D+01  0.970210D+01
      5   0.226433D+01  0.150062D+01  0.541773D+01  0.825878D+01 -0.892264D+01
      6   0.923127D+01  0.102442D+02  0.679058D+01 -0.106543D+02 -0.230054D+01
                56            57            58            59            60 
      1   0.106041D+02 -0.724491D+01  0.433915D+02 -0.202552D+01  0.124125D+02
      2  -0.618117D+01  0.755773D+00 -0.303530D+02 -0.161145D+02 -0.104247D+02
      3  -0.442291D+01  0.648914D+01 -0.130385D+02  0.181400D+02 -0.198787D+01
      4  -0.847888D+01  0.474077D+01 -0.262548D+02 -0.361166D+02 -0.113367D+02
      5   0.444755D+01 -0.146771D+02  0.113914D+02 -0.115933D+02 -0.580936D+00
      6   0.110192D+01 -0.368363D+01  0.448202D+00 -0.564061D+01 -0.815600D+00
                61            62            63            64            65 
      1  -0.340559D+02  0.103716D+02 -0.150014D+02 -0.135369D+02 -0.370887D+02
      2   0.917685D+01 -0.119464D+02  0.126252D+02  0.116903D+02  0.185026D+02
      3   0.248790D+02  0.157483D+01  0.237625D+01  0.184657D+01  0.185861D+02
      4   0.796117D+01 -0.166431D+02 -0.686145D+01 -0.404175D+02  0.488502D+01
      5  -0.317885D+02 -0.619736D+01  0.319194D+02 -0.362958D+01 -0.113985D+02
      6  -0.652178D+01 -0.326905D+01  0.877966D+01 -0.269157D+01 -0.192468D+01
                66            67            68            69            70 
      1  -0.843369D+01 -0.764209D+02  0.115499D+02 -0.144553D+02  0.137411D+02
      2  -0.485471D-01  0.402824D+02 -0.709994D+01  0.637068D+01 -0.753579D+01
      3   0.848223D+01  0.361385D+02 -0.444995D+01  0.808462D+01 -0.620531D+01
      4  -0.102103D+02  0.128128D+02  0.339268D+02  0.157868D+02 -0.133080D+02
      5   0.226429D+02 -0.217012D+02  0.169995D+02 -0.203730D+01  0.404575D+02
      6  -0.130354D+01  0.179278D+01 -0.285669D+00  0.369383D+00  0.240966D-01
                71            72            73            74            75 
      1  -0.969194D+01  0.440260D+02  0.359979D+02  0.335314D+02 -0.289780D+01
      2   0.312485D+01 -0.117471D+02 -0.293746D+02 -0.145395D+02 -0.365349D+01
      3   0.656708D+01 -0.322789D+02 -0.662333D+01 -0.189919D+02  0.655129D+01
      4   0.191523D+02 -0.125883D+01  0.290253D+02 -0.196920D+02  0.117134D+02
      5  -0.661075D+00 -0.422169D+02 -0.488237D+01  0.116774D+02 -0.235267D+02
      6   0.364019D+01  0.406150D+00  0.676512D+01 -0.431216D+01  0.110855D+02
                76            77            78            79            80 
      1   0.408727D+02 -0.159704D+02  0.620238D+01 -0.595684D+01  0.823716D+01
      2  -0.180818D+02  0.111119D+02  0.341036D+01 -0.539003D+01  0.395247D+01
      3  -0.227909D+02  0.485857D+01 -0.961274D+01  0.113469D+02 -0.121896D+02
      4  -0.229995D+02 -0.110508D+02 -0.232789D+02  0.154904D+02 -0.306889D+02
      5   0.148362D+02 -0.221504D+02  0.876077D+01 -0.336819D+02  0.143405D+02
      6  -0.759793D+01  0.114800D+02 -0.382561D+01  0.131534D+02 -0.748768D+01
                81            82            83            84            85 
      1  -0.256493D+02  0.224380D+02  0.420090D+02  0.921443D+00  0.596581D+02
      2   0.153974D+02 -0.617996D+01 -0.239536D+02  0.295517D+01 -0.356086D+02
      3   0.102520D+02 -0.162580D+02 -0.180554D+02 -0.387661D+01 -0.240495D+02
      4   0.210736D+02  0.449939D+02 -0.597340D+01  0.182962D+02 -0.206265D+02
      5   0.356822D+02 -0.270644D+01  0.202646D+02 -0.389104D+02  0.266922D+02
      6  -0.112752D+02  0.579276D+01 -0.914226D+00 -0.827850D+00 -0.500304D+01
                86            87            88            89            90 
      1  -0.764896D+01  0.266257D+02 -0.612924D+01  0.226275D+02 -0.527729D+02
      2  -0.814148D+00 -0.186626D+02  0.609187D+01 -0.161791D+02  0.266330D+02
      3   0.846311D+01 -0.796320D+01  0.373668D-01 -0.644842D+01  0.261399D+02
      4  -0.469563D+02 -0.345525D+02  0.203179D+02 -0.323804D+02 -0.313420D+01
      5  -0.371646D+02  0.323096D+01 -0.583961D+02 -0.160235D+01  0.311696D+02
      6  -0.118937D+02 -0.709149D+01 -0.235810D+01 -0.701707D+01  0.494376D+01
                91            92            93            94            95 
      1   0.122043D+02  0.146652D+02 -0.668942D+01  0.285989D+02 -0.134037D+02
      2  -0.391832D+01 -0.106661D+02  0.427410D+01 -0.184217D+02  0.478160D+01
      3  -0.828603D+01 -0.399907D+01  0.241532D+01 -0.101771D+02  0.862214D+01
      4   0.101246D+02 -0.933059D+01  0.144667D+00 -0.361543D+02 -0.351328D+01
      5  -0.583813D+01  0.607225D-01 -0.629548D+01  0.664101D+01  0.646786D+01
      6  -0.263661D+00  0.646231D+00 -0.506555D+01  0.453914D+01  0.651037D+01
                96            97            98            99           100 
      1  -0.233261D+01 -0.644268D+00 -0.404806D+01  0.105549D+01 -0.715110D+01
      2   0.405493D+01  0.629749D+01  0.977265D+01 -0.230172D+01  0.569730D+01
      3  -0.172232D+01 -0.565323D+01 -0.572459D+01  0.124623D+01  0.145380D+01
      4   0.638234D+01  0.755021D+01  0.145406D+02 -0.226142D+02  0.450907D+01
      5  -0.182359D+02 -0.137296D+02 -0.214287D+02 -0.228337D+02  0.156116D+02
      6  -0.884728D+01 -0.114151D+02 -0.116320D+02 -0.821782D+01 -0.122158D+01
               101           102           103           104           105 
      1  -0.393668D+01  0.963002D+01  0.821517D+01  0.146047D+02 -0.244214D+01
      2   0.381793D+01 -0.659623D+01 -0.785319D+01 -0.655054D+01  0.208573D+01
      3   0.118747D+00 -0.303378D+01 -0.361981D+00 -0.805418D+01  0.356405D+00
      4   0.591888D+01 -0.740162D+00  0.119288D+02 -0.534266D+01 -0.333053D+00
      5  -0.328335D+00 -0.140501D+02 -0.234562D+01  0.800070D-02  0.271579D+02
      6   0.602928D+00  0.789324D+01 -0.171890D+01  0.189690D+01 -0.659705D+01
               106           107           108           109           110 
      1   0.254532D+02 -0.586426D+01 -0.129884D+02  0.442752D+02 -0.890046D+01
      2  -0.124812D+02 -0.672412D-01  0.125406D+02 -0.255794D+02  0.373268D+01
      3  -0.129720D+02  0.593150D+01  0.447800D+00 -0.186959D+02  0.516778D+01
      4  -0.117189D+02  0.102263D+02  0.171892D+02 -0.148836D+02  0.124963D+02
      5  -0.301094D+02  0.169924D+02  0.303801D+02 -0.361842D+02  0.297981D+01
      6   0.972228D+01 -0.124021D+02 -0.561689D+01  0.690597D+01 -0.314173D+01
               111           112           113           114           115 
      1  -0.263138D+02 -0.136117D+02  0.143184D+01  0.123420D+00 -0.459637D+02
      2   0.174541D+02  0.414414D+01  0.424886D+01 -0.417370D+00  0.274982D+02
      3   0.885972D+01  0.946757D+01 -0.568070D+01  0.293950D+00  0.184655D+02
      4   0.535299D+01  0.199275D+02 -0.164963D+02 -0.178955D+02  0.182835D+02
      5   0.301331D+02  0.915052D+01 -0.183987D+02 -0.194169D+02  0.434513D+02
      6  -0.591217D+01 -0.393304D+01  0.858318D+01  0.146234D+02 -0.678307D+01
               116           117           118           119           120 
      1   0.464338D+01  0.116309D+02  0.406360D+01  0.662015D+01  0.144402D+02
      2  -0.155832D+01 -0.226832D+02 -0.100188D+02  0.328187D+01 -0.996844D+01
      3  -0.308506D+01  0.110523D+02  0.595516D+01 -0.990202D+01 -0.447177D+01
      4  -0.267372D+02 -0.119319D+02  0.137705D+02 -0.180837D+02 -0.122147D+01
      5  -0.117689D+02 -0.754391D+02  0.129753D+02  0.220581D+01  0.983877D+01
      6   0.142043D+02  0.196926D+02 -0.628113D+00 -0.167467D+01 -0.957808D+00
               121           122           123           124           125 
      1   0.148192D+02 -0.241584D+02  0.640610D+01  0.249864D+02 -0.178023D+00
      2   0.104217D+01  0.775942D+01 -0.456682D+01 -0.142835D+02 -0.256119D+01
      3  -0.158613D+02  0.163989D+02 -0.183928D+01 -0.107030D+02  0.273921D+01
      4  -0.204951D+02  0.249618D+02  0.755149D+01 -0.154032D+02  0.193218D+02
      5   0.231730D+00  0.699245D+01 -0.513028D+01  0.267748D+02 -0.158069D+02
      6  -0.127289D+01 -0.494394D+01  0.865834D+01 -0.686967D+01  0.139696D+02
               126           127           128           129           130 
      1   0.299293D+01  0.157116D+00 -0.264293D+01 -0.190118D+01 -0.782865D+00
      2  -0.124862D+02 -0.103871D+01  0.250445D+01 -0.407779D+00  0.111213D+00
      3   0.949325D+01  0.881590D+00  0.138474D+00  0.230896D+01  0.671653D+00
      4  -0.133258D+02  0.425037D+01  0.429332D+01  0.434432D+01  0.407306D+01
      5   0.399442D+02  0.780137D+01  0.464043D+01  0.840917D+01  0.581433D+01
      6  -0.138181D+02  0.541945D+01  0.436826D+01  0.576903D+01  0.464412D+01
               131           132           133           134           135 
      1  -0.768648D+01 -0.833048D+01 -0.331507D+01 -0.111371D+02 -0.191113D+02
      2   0.462147D+01  0.172177D+01 -0.148974D+01  0.478468D+01 -0.556411D+00
      3   0.306501D+01  0.660871D+01  0.480481D+01  0.635244D+01  0.196677D+02
      4   0.506734D+01  0.387924D+01  0.431526D+01  0.409816D+01  0.485077D+01
      5   0.558301D+01  0.768162D+01  0.972081D+01  0.650696D+01  0.144197D+02
      6   0.921122D+01  0.102338D+02  0.659922D+01  0.124339D+02  0.173976D+02
               136           137           138           139           140 
      1   0.470073D+01 -0.210810D+00  0.164313D+01  0.870434D+00 -0.237207D+01
      2  -0.579573D+01  0.434040D+00  0.371641D+01  0.842434D+00  0.280679D+00
      3   0.109500D+01 -0.223230D+00 -0.535954D+01 -0.171287D+01  0.209139D+01
      4  -0.488862D+01  0.296124D+01  0.261272D+01  0.223228D+01 -0.171189D+01
      5  -0.987965D+01  0.150652D+01  0.895273D+01  0.249421D+01 -0.244469D+01
      6   0.119317D+01 -0.200326D+01 -0.118254D+01 -0.179890D+01  0.269609D+01
               141           142           143           144           145 
      1  -0.457575D+01  0.395910D+01 -0.376431D+01 -0.140034D+02 -0.274784D+01
      2  -0.577989D+00  0.387998D+01  0.660241D+00 -0.699184D+01 -0.250320D+01
      3   0.515374D+01 -0.783908D+01  0.310407D+01  0.209953D+02  0.525104D+01
      4  -0.230345D+01  0.424501D+01 -0.440794D+01 -0.604877D+01  0.431470D+01
      5  -0.239932D+01  0.113622D+02 -0.286975D+01 -0.151588D+02  0.994461D+01
      6   0.373167D+01 -0.344591D+01  0.549339D+01  0.679021D+01  0.579228D+01
               146           147           148           149           150 
      1  -0.336219D+01 -0.525587D+01 -0.388302D+01 -0.812442D+01 -0.120982D+02
      2   0.893622D+00 -0.227434D+01 -0.853885D+00  0.190551D+01 -0.971691D+00
      3   0.246857D+01  0.753021D+01  0.473691D+01  0.621891D+01  0.130699D+02
      4   0.407952D+01  0.392028D+01  0.300489D+01  0.371490D+01  0.314981D+01
      5   0.551889D+01  0.116406D+02  0.636699D+01  0.544916D+01  0.899124D+01
      6   0.506064D+01  0.650709D+01  0.456322D+01  0.901505D+01  0.107790D+02
               151           152           153           154           155 
      1  -0.734921D+01 -0.123815D+02 -0.263199D+02  0.382709D+00 -0.359426D+00
      2  -0.284634D+01  0.135223D+01 -0.729658D+01 -0.844553D+01  0.947196D+00
      3   0.101955D+02  0.110293D+02  0.336165D+02  0.806283D+01 -0.587769D+00
      4   0.378547D+01  0.364751D+01  0.393055D+01 -0.350512D+01  0.294539D+01
      5   0.111867D+02  0.694703D+01  0.176020D+02 -0.155842D+02  0.214555D+01
      6   0.698178D+01  0.130453D+02  0.189999D+02  0.902313D+00 -0.289318D+01
               156           157           158           159           160 
      1   0.442602D+01  0.368965D+01 -0.239977D+01 -0.623999D+01  0.363959D+01
      2   0.843818D+01  0.618302D-01 -0.601535D+00 -0.233403D+01  0.927487D+01
      3  -0.128642D+02 -0.375148D+01  0.300131D+01  0.857401D+01 -0.129145D+02
      4   0.311540D+01  0.157351D+01 -0.130315D+01 -0.308873D+01  0.513753D+01
      5   0.164108D+02  0.233870D+01 -0.324860D+01 -0.386563D+01  0.168760D+02
      6  -0.302391D+00 -0.216381D+01  0.263519D+01  0.414985D+01 -0.305448D+01
               161           162           163           164           165 
      1  -0.312476D+01 -0.208703D+02  0.130410D+02 -0.564563D+00 -0.802504D+01
      2  -0.105267D+01 -0.155391D+02 -0.105544D+02  0.540011D+00  0.629395D+01
      3   0.417743D+01  0.364094D+02 -0.248666D+01  0.245511D-01  0.173109D+01
      4  -0.442416D+01 -0.605701D+01  0.326223D+01  0.654409D+01 -0.583891D+01
      5  -0.394069D+01 -0.250234D+02 -0.159506D+02 -0.506468D+01  0.167437D+02
      6   0.605726D+01  0.591981D+01 -0.388033D+01 -0.229161D+01  0.390093D+01
               166           167           168           169           170 
      1  -0.838564D+01 -0.972916D+00  0.712536D+00 -0.145342D+02  0.116772D+01
      2   0.476752D+01  0.150732D+01 -0.783104D+00  0.119140D+02  0.495966D+00
      3   0.361812D+01 -0.534404D+00  0.705686D-01  0.262019D+01 -0.166368D+01
      4   0.592220D+01  0.650620D+01 -0.566395D+01 -0.789445D+01 -0.866323D+01
      5  -0.230111D+01 -0.610581D+01  0.150395D+01  0.209492D+02  0.103424D+02
      6  -0.233022D+01 -0.250744D+01  0.542172D+01  0.636041D+01  0.753449D+01
               171           172           173           174           175 
      1  -0.441142D+01  0.693180D+01  0.725944D+01  0.377628D+01  0.794003D+01
      2  -0.111672D+02  0.136678D+01 -0.174805D+01 -0.122272D+01  0.471491D+01
      3   0.155786D+02 -0.829858D+01 -0.551139D+01 -0.255355D+01 -0.126549D+02
      4   0.103203D+02  0.102960D+02  0.120856D+02  0.790080D+00  0.229727D+02
      5  -0.418775D+02  0.470955D+01  0.137429D+00  0.393769D+01  0.137382D+01
      6  -0.143249D+02  0.172964D+01 -0.228593D-01  0.710863D+00  0.105535D+01
               176           177           178           179           180 
      1  -0.170482D+02 -0.173310D+01  0.160843D+02 -0.356699D+01  0.977488D-01
      2   0.377266D+02  0.420512D+01 -0.435739D+01  0.785283D+01  0.196959D+01
      3  -0.206784D+02 -0.247201D+01 -0.117269D+02 -0.428584D+01 -0.206733D+01
      4   0.522418D+02  0.611537D+01  0.634000D+01  0.140246D+02  0.830831D+01
      5   0.555096D+01  0.549959D+01  0.879061D+01  0.809998D+01  0.250756D+01
      6   0.283462D+01  0.536555D+01  0.311897D+01  0.728571D+01  0.271625D+01
               181           182           183           184           185 
      1  -0.122520D+02  0.463551D+01  0.145585D+02  0.949090D+01 -0.799381D+01
      2   0.146142D+01 -0.216837D+01 -0.319625D+01 -0.461797D+01  0.292137D+01
      3   0.107906D+02 -0.246714D+01 -0.113623D+02 -0.487293D+01  0.507244D+01
      4   0.546738D+01 -0.208534D+01  0.172342D+01 -0.285244D+00 -0.476524D+01
      5   0.792448D+01  0.158841D+01 -0.476012D+01  0.131883D+01  0.445183D+01
      6  -0.541720D+00 -0.644641D+00  0.332236D+00 -0.121838D+01 -0.210592D+00
               186           187           188           189           190 
      1   0.253168D+01  0.218718D+02  0.323529D+01 -0.289780D+02  0.126715D+02
      2  -0.116519D+01 -0.770510D+01 -0.179055D+01 -0.721001D+01 -0.678044D+01
      3  -0.136648D+01 -0.141667D+02 -0.144473D+01  0.361880D+02 -0.589104D+01
      4   0.490343D+01  0.248408D+01  0.654874D+01  0.663388D-01 -0.115296D+02
      5  -0.642016D+00 -0.232922D+01  0.381457D+00  0.463271D+02 -0.162264D+02
      6   0.656851D+01  0.202813D+00  0.385852D+01 -0.133709D+01  0.444764D+01
               191           192           193           194           195 
      1  -0.605196D+01 -0.124681D+02 -0.174704D+01  0.235771D+01 -0.234725D+01
      2   0.123285D+01  0.870238D+01 -0.644574D+00 -0.815269D+00  0.275784D+01
      3   0.481911D+01  0.376572D+01  0.239161D+01 -0.154244D+01 -0.410583D+00
      4   0.109553D+02  0.637554D+01  0.797337D+01 -0.451706D+01 -0.667422D+01
      5   0.360802D+01  0.195418D+02  0.296071D+00 -0.671416D+01 -0.303870D+01
      6  -0.173682D+01 -0.642222D+01 -0.176742D+01  0.264122D+01  0.612769D+01
               196           197           198           199           200 
      1  -0.180067D+02 -0.130563D+01  0.767732D+01  0.320496D+02 -0.201998D+02
      2   0.120587D+02  0.303642D+01 -0.141509D+02 -0.786378D+01  0.112648D+01
      3   0.594804D+01 -0.173079D+01  0.647359D+01 -0.241858D+02  0.190733D+02
      4   0.103859D+02 -0.145263D+02 -0.176130D+02 -0.384642D+02  0.343526D+02
      5   0.242815D+02 -0.134381D+02 -0.542236D+02  0.156894D+02 -0.982104D+01
      6  -0.857706D+01  0.881980D+01  0.206113D+02 -0.776020D+01  0.606490D+01
               201           202           203           204           205 
      1   0.111664D+02 -0.182040D+02  0.978999D+01 -0.344843D+01  0.175088D+02
      2  -0.327924D+01 -0.755094D+00  0.119408D+02 -0.365363D+01 -0.536809D+01
      3  -0.788715D+01  0.189590D+02 -0.217308D+02  0.710206D+01 -0.121407D+02
      4  -0.127256D+02  0.359169D+02 -0.459325D+02  0.184962D+02 -0.217462D+02
      5   0.147691D+02 -0.112025D+02  0.165207D+02 -0.119235D+02  0.204961D+02
      6  -0.726971D+01  0.758612D+01 -0.116188D+02  0.872426D+01 -0.101395D+02
               206           207           208           209           210 
      1  -0.518215D+01  0.946691D+01 -0.562870D+02 -0.226592D+02 -0.125383D+01
      2  -0.458634D+01 -0.382149D+01  0.330280D+02  0.197100D+02  0.121600D+01
      3   0.976850D+01 -0.564543D+01  0.232590D+02  0.294919D+01  0.378242D-01
      4   0.283772D+02 -0.197910D+02  0.611531D+01 -0.909533D+01 -0.173854D+01
      5  -0.166158D+02  0.170609D+02 -0.164277D+01 -0.240181D+01 -0.154402D+01
      6   0.115033D+02 -0.103464D+02 -0.147987D+01 -0.271441D+00  0.262086D+01
               211           212           213           214           215 
      1  -0.176346D+02 -0.204046D+02 -0.102767D+01 -0.162141D+01 -0.159563D+00
      2   0.150741D+02  0.188386D+02 -0.333200D-01  0.166697D+01 -0.482770D+00
      3   0.256056D+01  0.156602D+01  0.106099D+01 -0.455620D-01  0.642334D+00
      4  -0.247216D+01 -0.620452D+01  0.167159D+01 -0.994397D+00  0.336601D+01
      5  -0.133167D+01  0.109920D+01 -0.217473D+01  0.126414D+01 -0.414575D+01
      6   0.614527D+00 -0.634901D+00  0.312572D+01  0.190955D+01  0.431803D+01
               216           217           218           219           220 
      1  -0.476798D+01  0.416381D+02  0.146772D+01 -0.243208D+02 -0.444707D+01
      2   0.242350D+01 -0.221252D+02  0.850727D-01  0.120160D+02  0.378984D+01
      3   0.234448D+01 -0.195129D+02 -0.155279D+01  0.123048D+02  0.657225D+00
      4  -0.379456D+01  0.325596D+01  0.806367D+01 -0.575540D+01  0.132538D+02
      5  -0.370426D+01 -0.242220D+02 -0.505636D+01  0.250984D+02 -0.445858D+01
      6   0.956520D+00 -0.326110D+01 -0.562596D+00  0.260735D+01 -0.122026D+01
               221           222           223           224           225 
      1   0.860047D+01 -0.391215D+01 -0.507322D+02 -0.904980D+01  0.328608D+02
      2  -0.296563D+01  0.158314D+01  0.262684D+02  0.383702D+01 -0.205015D+02
      3  -0.563484D+01  0.232900D+01  0.244638D+02  0.521278D+01 -0.123592D+02
      4   0.899040D+01 -0.676068D+01 -0.119727D+02 -0.130972D+02  0.729928D+01
      5  -0.627147D+01  0.208241D+01  0.402972D+02  0.685254D+01 -0.607884D+02
      6  -0.583801D-01  0.386270D+01  0.381279D+01  0.404751D+01 -0.743511D+01
               226           227           228           229           230 
      1   0.272844D+01  0.115982D+02  0.602636D+01  0.223987D+02  0.473731D+01
      2   0.433824D+00 -0.473409D+01 -0.288086D+01 -0.738883D+01  0.136943D+02
      3  -0.316226D+01 -0.686409D+01 -0.314550D+01 -0.150099D+02 -0.184316D+02
      4   0.110843D+02  0.108368D+02  0.256578D+01  0.318343D+02  0.808084D+02
      5   0.612172D+01  0.292535D+01  0.668355D+01  0.973941D+01  0.268373D+02
      6   0.295991D+01  0.101620D+01  0.474095D+00  0.555142D+01  0.172383D+02
               231           232           233           234           235 
      1  -0.100024D+01  0.110054D+02 -0.174146D+01  0.619844D+01  0.806435D+02
      2   0.236257D+01 -0.604307D+01  0.236501D+01 -0.419644D+01 -0.461599D+02
      3  -0.136232D+01 -0.496228D+01 -0.623553D+00 -0.200200D+01 -0.344836D+02
      4   0.256073D+02  0.822721D+01  0.257492D+02  0.180754D+02 -0.234001D+02
      5   0.192384D+02  0.166376D+02  0.188481D+02  0.150114D+02  0.381583D+02
      6   0.106627D+02  0.358977D+01  0.108923D+02  0.744663D+01 -0.324038D+01
               236           237           238           239           240 
      1  -0.234746D+02  0.294898D+02 -0.511868D+02  0.191718D+02 -0.163669D+02
      2   0.134938D+02 -0.191906D+02  0.286538D+02 -0.984027D+01  0.119980D+02
      3   0.998078D+01 -0.102993D+02  0.225330D+02 -0.933149D+01  0.436891D+01
      4   0.166516D+02 -0.100509D+02  0.264462D+02 -0.212778D+02  0.173597D+02
      5  -0.119327D+02  0.288752D+02 -0.235652D+02  0.184441D+02 -0.191791D+02
      6   0.216912D+01 -0.664322D+00  0.471394D+01 -0.373804D+01  0.438604D+01
               241           242           243           244           245 
      1   0.439592D+02 -0.103367D+02  0.299645D+02  0.289625D+01  0.672439D+00
      2  -0.290167D+02  0.837379D+01 -0.233162D+02 -0.346239D+01  0.217194D-01
      3  -0.149425D+02  0.196290D+01 -0.664824D+01  0.566139D+00 -0.694158D+00
      4  -0.123040D+02  0.177052D+02 -0.114169D+02  0.496565D+01  0.712571D+01
      5   0.436164D+02 -0.126106D+02  0.334862D+02  0.137440D+02  0.426743D+01
      6  -0.167814D+01  0.460353D+01 -0.302605D+01  0.601617D+01  0.157907D+01
               246           247           248           249           250 
      1   0.820318D+01 -0.539731D+00 -0.611588D+00 -0.142940D+01  0.104410D+02
      2  -0.497091D+01  0.154859D+01  0.280026D+01  0.164246D+01 -0.743019D+01
      3  -0.323227D+01 -0.100886D+01 -0.218867D+01 -0.213064D+00 -0.301078D+01
      4   0.478396D+01  0.108950D+02  0.111357D+02  0.838369D+01  0.609471D+01
      5   0.112740D+02  0.517213D+01  0.879944D+01  0.116809D+02  0.159264D+02
      6   0.333332D+01  0.305857D+01  0.621647D+01  0.881715D+01  0.504704D+01
               251           252           253           254           255 
      1  -0.303309D+01 -0.355643D+01 -0.418568D+02 -0.442320D+02  0.693332D+01
      2   0.143327D+01 -0.674608D+01  0.301668D+01  0.315858D+02  0.211710D+01
      3   0.159981D+01  0.103025D+02  0.388401D+02  0.126462D+02 -0.905042D+01
      4   0.113994D+02  0.121047D+02 -0.551085D+02 -0.969891D+01  0.601552D+01
      5   0.115753D+02  0.354126D+02  0.117908D+02  0.973235D+01  0.568264D+01
      6   0.831432D+01  0.155485D+02  0.580465D+01  0.370408D+00  0.314291D+01
               256           257           258           259           260 
      1  -0.358095D+02  0.137435D+02  0.119896D+02 -0.169373D+01  0.134964D+02
      2   0.282209D+02 -0.175682D+02 -0.511675D+01  0.207060D+01 -0.120404D+02
      3   0.758863D+01  0.382467D+01 -0.687285D+01 -0.376867D+00 -0.145604D+01
      4   0.327161D+01  0.493140D+01 -0.906072D+01 -0.453398D+01 -0.160033D+02
      5   0.255212D+01 -0.141160D+02  0.141900D+02  0.131263D+02  0.147052D+02
      6  -0.535774D+01 -0.859408D+01  0.119969D+02  0.936370D+01  0.145626D+02
               261           262           263           264           265 
      1   0.886486D+01  0.283232D+02 -0.202045D+02  0.440843D+01 -0.238225D+02
      2   0.136804D+02 -0.736643D+01  0.346987D+01 -0.160459D+01  0.176893D+01
      3  -0.225453D+02 -0.209567D+02  0.167346D+02 -0.280384D+01  0.220536D+02
      4   0.198737D+02 -0.304910D+02  0.290414D+02 -0.564330D+01  0.391448D+02
      5   0.143869D+02  0.972930D+01 -0.687053D+01  0.716927D+01 -0.947611D+01
      6   0.456191D+01 -0.387273D+01  0.380167D+01 -0.213459D+01  0.481500D+01
               266           267           268           269           270 
      1   0.178669D+02 -0.330910D+01 -0.626133D+01  0.572057D+01  0.136028D+01
      2   0.713223D+01  0.488973D+00 -0.381935D+00  0.118163D+01 -0.130509D+00
      3  -0.249991D+02  0.282012D+01  0.664327D+01 -0.690219D+01 -0.122977D+01
      4  -0.510491D+02  0.913274D+01  0.860356D+01 -0.950973D+01 -0.425565D+01
      5   0.109982D+02 -0.101143D+02  0.398834D+01 -0.373049D+01  0.277086D+01
      6  -0.739616D+01  0.451565D+01 -0.168383D+01  0.266015D+01 -0.101705D+01
               271           272           273           274           275 
      1  -0.130136D+02  0.262821D+02 -0.150829D+01  0.175122D+02 -0.371462D+02
      2   0.156309D+02 -0.284158D+02 -0.322416D+00 -0.161183D+02  0.516605D+02
      3  -0.261727D+01  0.213374D+01  0.183071D+01 -0.139387D+01 -0.145143D+02
      4   0.214031D+01 -0.401132D+01  0.112356D+01  0.355819D+01  0.219723D+02
      5   0.298928D+01 -0.286473D+01 -0.321342D+01 -0.354348D+01  0.440986D+01
      6  -0.121160D+01  0.385810D+01 -0.486483D+01  0.121214D+01 -0.602176D+01
               276           277           278           279           280 
      1   0.110428D+00  0.331526D+01 -0.516383D+01 -0.725396D+01  0.107956D+01
      2   0.745564D+00 -0.267174D+01  0.872759D+01  0.510056D+01 -0.261173D+01
      3  -0.855991D+00 -0.643516D+00 -0.356375D+01  0.215339D+01  0.153217D+01
      4  -0.132698D+00  0.204951D+01  0.657987D+01 -0.390413D+00  0.254000D+01
      5   0.261412D+01 -0.212002D+01  0.242713D+01  0.846062D+00 -0.463078D+01
      6   0.564487D+01 -0.327702D+01  0.526359D+01  0.853716D+00 -0.239631D+01
               281           282           283           284           285 
      1   0.432188D+01 -0.838004D+01 -0.480293D+00 -0.328449D+01 -0.234224D+01
      2  -0.426786D+01  0.116066D+01 -0.164773D+01 -0.115925D+01 -0.372281D+01
      3  -0.540239D-01  0.721938D+01  0.212802D+01  0.444374D+01  0.606505D+01
      4   0.421558D+00 -0.292874D+01 -0.184891D+01 -0.685493D+01 -0.228192D+01
      5  -0.567902D+00 -0.243469D+00  0.113023D+01 -0.121135D+01 -0.679833D+01
      6   0.124862D+01 -0.269635D+01  0.100660D+01  0.142615D+01 -0.329818D+00
               286           287           288           289           290 
      1  -0.835732D+01  0.144987D+01 -0.183481D+02  0.776582D+02  0.247172D+02
      2   0.310623D+01 -0.500119D+01 -0.146424D+02 -0.248346D+02 -0.137300D+01
      3   0.525109D+01  0.355132D+01  0.329906D+02 -0.528236D+02 -0.233442D+02
      4  -0.562478D+01 -0.752291D+01 -0.328691D+01  0.665501D+02  0.384242D+02
      5   0.553679D+01  0.262105D+00 -0.326357D+02 -0.208410D+02 -0.996011D+01
      6   0.529152D+00  0.472474D+01 -0.195623D+02 -0.811198D+01 -0.660663D+01
               291           292           293           294           295 
      1  -0.517649D+01  0.170750D+02  0.100517D+02 -0.204157D+01  0.735803D+00
      2   0.214551D+01  0.120945D+01  0.638305D+01  0.229198D+00  0.148143D+01
      3   0.303098D+01 -0.182845D+02 -0.164348D+02  0.181237D+01 -0.221724D+01
      4  -0.880687D+01  0.320995D+02  0.255888D+02 -0.344797D+01 -0.675592D+00
      5   0.129309D+02 -0.645637D+01 -0.363158D+01  0.318533D+01  0.124770D+02
      6   0.719991D+01 -0.453408D+01 -0.390146D+01  0.263142D+01  0.640947D+01
               296           297 
      1  -0.137453D+01  0.645751D+01
      2   0.226675D+01 -0.451953D+01
      3  -0.892221D+00 -0.193797D+01
      4   0.113095D+01  0.632170D+01
      5   0.455659D+01 -0.492233D+01
      6   0.320489D+01 -0.243607D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep 29 13:35:37 2021, MaxMem=  6442450944 cpu:           45584.9 elap:            5702.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51648 -19.46386 -10.58609 -10.46595 -10.45784
 Alpha  occ. eigenvalues --  -10.45105 -10.44640 -10.44458 -10.44359 -10.44357
 Alpha  occ. eigenvalues --  -10.44290 -10.43776 -10.43608 -10.42640 -10.42274
 Alpha  occ. eigenvalues --   -1.24753  -1.14606  -1.00946  -0.96172  -0.93522
 Alpha  occ. eigenvalues --   -0.88089  -0.87744  -0.81559  -0.81299  -0.79980
 Alpha  occ. eigenvalues --   -0.74011  -0.72851  -0.69623  -0.68319  -0.63863
 Alpha  occ. eigenvalues --   -0.63094  -0.61349  -0.59240  -0.58486  -0.57017
 Alpha  occ. eigenvalues --   -0.56370  -0.55728  -0.54225  -0.53710  -0.53225
 Alpha  occ. eigenvalues --   -0.52867  -0.50065  -0.49479  -0.48933  -0.48270
 Alpha  occ. eigenvalues --   -0.47732  -0.47015  -0.45384  -0.44886  -0.44436
 Alpha  occ. eigenvalues --   -0.43512  -0.42843  -0.42398  -0.40171  -0.35467
 Alpha  occ. eigenvalues --   -0.33627
 Alpha virt. eigenvalues --    0.03579   0.05045   0.05128   0.05760   0.06197
 Alpha virt. eigenvalues --    0.06322   0.07192   0.07662   0.08257   0.09175
 Alpha virt. eigenvalues --    0.09746   0.10318   0.10990   0.11615   0.11819
 Alpha virt. eigenvalues --    0.12982   0.13067   0.13487   0.14248   0.15227
 Alpha virt. eigenvalues --    0.15874   0.16640   0.17488   0.17873   0.18323
 Alpha virt. eigenvalues --    0.18732   0.19249   0.19622   0.19783   0.20300
 Alpha virt. eigenvalues --    0.21078   0.21217   0.21686   0.21962   0.22903
 Alpha virt. eigenvalues --    0.23197   0.24042   0.24675   0.25196   0.25511
 Alpha virt. eigenvalues --    0.26060   0.26791   0.27087   0.28099   0.28320
 Alpha virt. eigenvalues --    0.28834   0.29246   0.29699   0.30127   0.30542
 Alpha virt. eigenvalues --    0.31159   0.31470   0.31734   0.32392   0.33231
 Alpha virt. eigenvalues --    0.33445   0.33730   0.34036   0.34637   0.34815
 Alpha virt. eigenvalues --    0.35215   0.35412   0.35898   0.36197   0.36458
 Alpha virt. eigenvalues --    0.37222   0.37328   0.37533   0.37829   0.38191
 Alpha virt. eigenvalues --    0.38509   0.38894   0.39117   0.39490   0.39744
 Alpha virt. eigenvalues --    0.40207   0.40352   0.40657   0.41013   0.41155
 Alpha virt. eigenvalues --    0.41537   0.42273   0.42583   0.42674   0.42930
 Alpha virt. eigenvalues --    0.43110   0.43340   0.43870   0.43995   0.44398
 Alpha virt. eigenvalues --    0.44621   0.45011   0.45928   0.46290   0.46642
 Alpha virt. eigenvalues --    0.46964   0.47362   0.47726   0.48055   0.48536
 Alpha virt. eigenvalues --    0.48612   0.49134   0.49669   0.49955   0.50315
 Alpha virt. eigenvalues --    0.50944   0.51159   0.51353   0.51457   0.51870
 Alpha virt. eigenvalues --    0.52596   0.52760   0.52942   0.53897   0.54203
 Alpha virt. eigenvalues --    0.54281   0.54487   0.55088   0.55830   0.56231
 Alpha virt. eigenvalues --    0.56303   0.56780   0.57057   0.57857   0.58032
 Alpha virt. eigenvalues --    0.58578   0.59311   0.59567   0.60197   0.60489
 Alpha virt. eigenvalues --    0.60855   0.61487   0.61537   0.62400   0.62705
 Alpha virt. eigenvalues --    0.63084   0.63350   0.63732   0.64480   0.64867
 Alpha virt. eigenvalues --    0.65485   0.66288   0.66394   0.66558   0.67443
 Alpha virt. eigenvalues --    0.67892   0.68291   0.68535   0.69151   0.69633
 Alpha virt. eigenvalues --    0.70194   0.70651   0.71551   0.72350   0.73170
 Alpha virt. eigenvalues --    0.73343   0.73563   0.73798   0.74817   0.75166
 Alpha virt. eigenvalues --    0.76005   0.76141   0.77551   0.77661   0.78527
 Alpha virt. eigenvalues --    0.79194   0.79709   0.80373   0.80648   0.81324
 Alpha virt. eigenvalues --    0.82508   0.82939   0.83172   0.83842   0.84901
 Alpha virt. eigenvalues --    0.85839   0.86857   0.87919   0.88173   0.89043
 Alpha virt. eigenvalues --    0.89555   0.91504   0.91705   0.92154   0.93838
 Alpha virt. eigenvalues --    0.94661   0.95366   0.97923   0.99166   0.99968
 Alpha virt. eigenvalues --    1.00760   1.01941   1.02999   1.03653   1.05024
 Alpha virt. eigenvalues --    1.05734   1.06345   1.07054   1.07952   1.08467
 Alpha virt. eigenvalues --    1.09058   1.09175   1.10014   1.10559   1.10870
 Alpha virt. eigenvalues --    1.11558   1.12048   1.12925   1.13540   1.13978
 Alpha virt. eigenvalues --    1.14295   1.15474   1.16158   1.16655   1.18586
 Alpha virt. eigenvalues --    1.19780   1.21734   1.23060   1.23849   1.24573
 Alpha virt. eigenvalues --    1.25243   1.25604   1.26248   1.27933   1.28286
 Alpha virt. eigenvalues --    1.29314   1.30307   1.31178   1.31619   1.32664
 Alpha virt. eigenvalues --    1.34454   1.35255   1.36402   1.37699   1.37951
 Alpha virt. eigenvalues --    1.39586   1.40382   1.40977   1.41965   1.42802
 Alpha virt. eigenvalues --    1.44082   1.44778   1.45559   1.46848   1.49068
 Alpha virt. eigenvalues --    1.50256   1.51123   1.51175   1.52746   1.55692
 Alpha virt. eigenvalues --    1.56717   1.57606   1.58756   1.61330   1.62997
 Alpha virt. eigenvalues --    1.63926   1.65304   1.66593   1.67765   1.71852
 Alpha virt. eigenvalues --    1.72602   1.74620   1.74882   1.75327   1.76156
 Alpha virt. eigenvalues --    1.78025   1.80377   1.80592   1.82052   1.83472
 Alpha virt. eigenvalues --    1.83958   1.84774   1.85197   1.86704   1.87123
 Alpha virt. eigenvalues --    1.88290   1.89419   1.90315   1.91909   1.92827
 Alpha virt. eigenvalues --    1.93236   1.94152   1.94610   1.96271   1.98016
 Alpha virt. eigenvalues --    1.98640   1.99409   1.99696   2.00479   2.01462
 Alpha virt. eigenvalues --    2.02290   2.03543   2.03619   2.04913   2.06653
 Alpha virt. eigenvalues --    2.07851   2.08632   2.09584   2.10585   2.10880
 Alpha virt. eigenvalues --    2.12691   2.12852   2.14584   2.15314   2.16108
 Alpha virt. eigenvalues --    2.16263   2.16700   2.17959   2.18929   2.19778
 Alpha virt. eigenvalues --    2.20338   2.21554   2.22670   2.23681   2.24789
 Alpha virt. eigenvalues --    2.25400   2.26682   2.27307   2.28586   2.28859
 Alpha virt. eigenvalues --    2.30072   2.31841   2.32044   2.33393   2.34320
 Alpha virt. eigenvalues --    2.35822   2.37987   2.38490   2.40301   2.41034
 Alpha virt. eigenvalues --    2.44476   2.45092   2.47762   2.49524   2.50401
 Alpha virt. eigenvalues --    2.51212   2.51471   2.53151   2.53625   2.55625
 Alpha virt. eigenvalues --    2.58251   2.59572   2.61147   2.63288   2.63951
 Alpha virt. eigenvalues --    2.65201   2.66672   2.68567   2.69273   2.71558
 Alpha virt. eigenvalues --    2.73384   2.74577   2.74976   2.75899   2.76614
 Alpha virt. eigenvalues --    2.77757   2.78615   2.80294   2.81491   2.87899
 Alpha virt. eigenvalues --    2.92580   2.94653   2.94920   2.98023   3.01119
 Alpha virt. eigenvalues --    3.02385   3.03411   3.05091   3.08239   3.08906
 Alpha virt. eigenvalues --    3.10442   3.11240   3.12166   3.14045   3.14767
 Alpha virt. eigenvalues --    3.15427   3.18420   3.21928   3.22583   3.24448
 Alpha virt. eigenvalues --    3.25055   3.25990   3.28241   3.29808   3.31657
 Alpha virt. eigenvalues --    3.32605   3.35303   3.36309   3.43253   3.46523
 Alpha virt. eigenvalues --    3.69701   3.74123   3.88429   4.00747
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.013192  -1.819949  -2.279710   0.743369  -0.129085  -0.051857
     2  C   -1.819949  13.875710   0.670189  -0.892996   0.611607  -1.334337
     3  C   -2.279710   0.670189  10.475460  -1.839688  -0.137195   0.134441
     4  C    0.743369  -0.892996  -1.839688  13.390778  -1.335359   0.724098
     5  C   -0.129085   0.611607  -0.137195  -1.335359  10.831306  -1.684560
     6  C   -0.051857  -1.334337   0.134441   0.724098  -1.684560  10.023454
     7  C   -0.946223  -0.019556   0.063699   0.185147  -0.008387  -1.115829
     8  C   -0.003267   0.038845   0.000702  -0.005131  -0.001728   0.059132
     9  C   -0.016255  -0.046901   0.004310  -0.004358  -0.004079   0.026768
    10  C   -0.001570  -0.030358  -0.000712  -0.000082  -0.000083  -0.013883
    11  C    0.050752   0.134505  -0.782021   0.312122  -1.272404   0.034455
    12  C   -0.000632   0.027927  -0.196685  -0.094062  -0.117131  -0.010384
    13  O    0.011989  -0.005111   0.011562   0.039218   0.021052   0.002967
    14  O    0.000593  -0.001278  -0.011606   0.027537  -0.004176   0.004031
    15  H    0.060806  -1.799828  -0.754142   0.132478   0.246596   0.024172
    16  H   -0.431199   0.039007   0.438249  -1.678167   0.004614   0.201879
    17  H    0.236249  -0.066183   0.106902  -2.094811   0.309003  -0.716243
    18  H    0.089682  -1.731908   0.189386  -0.018529  -0.650601   0.200745
    19  H    0.109807  -0.198870   0.012682   0.007858   0.030924  -0.130934
    20  H   -0.022419  -0.055582  -0.000048  -0.010368   0.001463   0.143034
    21  H   -0.113817  -0.004633   0.005101  -0.001338   0.000855  -0.034590
    22  H    0.000760  -0.029725  -0.000384  -0.000311   0.000581   0.000843
    23  H   -0.008483   0.010994   0.000400   0.000495   0.001391  -0.011747
    24  H    0.026413   0.000919   0.002209  -0.003188  -0.001507   0.003312
    25  H   -0.001802   0.003402   0.000084  -0.000024  -0.000149   0.002463
    26  H    0.000682  -0.000797  -0.000174  -0.000009   0.000044  -0.002814
    27  H    0.000780   0.007074   0.000021  -0.000010  -0.000006   0.001338
    28  H    0.018838  -0.002806   0.142915  -0.333067  -0.160938   0.010320
    29  C   -0.005732   0.003379  -0.082634   0.049412  -0.007223   0.007009
    30  H   -0.000408  -0.000108   0.001917  -0.008846   0.001983  -0.000426
    31  H   -0.001200  -0.001295   0.008743  -0.047650   0.053362  -0.002184
    32  H    0.005148   0.000853  -0.025633  -0.018232  -0.006909  -0.000848
    33  H   -0.000779   0.000524  -0.005536  -0.038433  -0.017444  -0.000185
               7          8          9         10         11         12
     1  C   -0.946223  -0.003267  -0.016255  -0.001570   0.050752  -0.000632
     2  C   -0.019556   0.038845  -0.046901  -0.030358   0.134505   0.027927
     3  C    0.063699   0.000702   0.004310  -0.000712  -0.782021  -0.196685
     4  C    0.185147  -0.005131  -0.004358  -0.000082   0.312122  -0.094062
     5  C   -0.008387  -0.001728  -0.004079  -0.000083  -1.272404  -0.117131
     6  C   -1.115829   0.059132   0.026768  -0.013883   0.034455  -0.010384
     7  C    7.441566   0.045363  -0.071295   0.005923  -0.002685  -0.000635
     8  C    0.045363   5.945055   0.446030   0.331762  -0.000128   0.000127
     9  C   -0.071295   0.446030   4.198068  -0.052068   0.000049   0.000001
    10  C    0.005923   0.331762  -0.052068   4.431950   0.000002   0.000001
    11  C   -0.002685  -0.000128   0.000049   0.000002   7.677795   0.356877
    12  C   -0.000635   0.000127   0.000001   0.000001   0.356877   5.167088
    13  O    0.000068  -0.000038   0.000001  -0.000000  -0.193272   0.531686
    14  O   -0.000046   0.000011  -0.000002  -0.000001  -0.123388   0.249410
    15  H   -0.438322  -0.012986  -0.001436   0.007794   0.001985   0.006364
    16  H    0.008782   0.002861  -0.000453  -0.000090  -0.320484  -0.032628
    17  H    0.012324  -0.001399  -0.001062   0.000042  -0.533148  -0.078691
    18  H   -0.378525   0.008529   0.026381  -0.004301   0.017960   0.002419
    19  H    0.092100   0.027381  -0.030669   0.013624  -0.000119   0.000011
    20  H   -0.035414   0.025924   0.023012  -0.107934  -0.000200   0.000120
    21  H    0.075963   0.096396   0.025115  -0.073098  -0.000083   0.000024
    22  H   -0.039105   0.102406   0.197245  -0.015660   0.000021  -0.000001
    23  H    0.066413   0.087690   0.177534  -0.005189   0.000022  -0.000001
    24  H   -0.162259   0.136356   0.236126   0.004636  -0.000208  -0.000009
    25  H   -0.006670   0.165395  -0.017073   0.098195   0.000000   0.000000
    26  H   -0.022509  -0.062025   0.010138   0.440785   0.000000  -0.000000
    27  H    0.011974   0.143783  -0.023511   0.174506  -0.000001   0.000000
    28  H    0.000036   0.000107  -0.000025  -0.000001   0.169933  -0.202334
    29  C   -0.000119  -0.000158   0.000036   0.000001   0.333387   0.020302
    30  H   -0.000001  -0.000000   0.000000   0.000000   0.014055   0.104529
    31  H    0.000028  -0.000034   0.000015  -0.000000   0.067937   0.002064
    32  H   -0.000045   0.000056  -0.000018  -0.000000   0.083064  -0.007712
    33  H   -0.000007   0.000002  -0.000001   0.000000   0.177354   0.000141
              13         14         15         16         17         18
     1  C    0.011989   0.000593   0.060806  -0.431199   0.236249   0.089682
     2  C   -0.005111  -0.001278  -1.799828   0.039007  -0.066183  -1.731908
     3  C    0.011562  -0.011606  -0.754142   0.438249   0.106902   0.189386
     4  C    0.039218   0.027537   0.132478  -1.678167  -2.094811  -0.018529
     5  C    0.021052  -0.004176   0.246596   0.004614   0.309003  -0.650601
     6  C    0.002967   0.004031   0.024172   0.201879  -0.716243   0.200745
     7  C    0.000068  -0.000046  -0.438322   0.008782   0.012324  -0.378525
     8  C   -0.000038   0.000011  -0.012986   0.002861  -0.001399   0.008529
     9  C    0.000001  -0.000002  -0.001436  -0.000453  -0.001062   0.026381
    10  C   -0.000000  -0.000001   0.007794  -0.000090   0.000042  -0.004301
    11  C   -0.193272  -0.123388   0.001985  -0.320484  -0.533148   0.017960
    12  C    0.531686   0.249410   0.006364  -0.032628  -0.078691   0.002419
    13  O    7.892296  -0.014246   0.000315  -0.018887   0.008935  -0.000137
    14  O   -0.014246   8.016363   0.000122  -0.008309  -0.005122   0.000520
    15  H    0.000315   0.000122   4.130067  -0.849887  -0.029448   0.077122
    16  H   -0.018887  -0.008309  -0.849887   3.212229   0.075168  -0.024701
    17  H    0.008935  -0.005122  -0.029448   0.075168   4.173932  -1.107761
    18  H   -0.000137   0.000520   0.077122  -0.024701  -1.107761   3.814405
    19  H    0.000001  -0.000018   0.040812  -0.000706   0.002114  -0.048567
    20  H   -0.000021  -0.000007  -0.026156  -0.000617  -0.000574   0.023597
    21  H   -0.000004   0.000002  -0.084609   0.000697   0.000509  -0.010154
    22  H    0.000000  -0.000000   0.000179  -0.000013   0.000196  -0.007344
    23  H    0.000000  -0.000000  -0.000420   0.000022   0.000107  -0.005360
    24  H    0.000004   0.000013   0.005034  -0.000129   0.000661   0.019855
    25  H   -0.000000  -0.000000  -0.000707   0.000002  -0.000003   0.000733
    26  H    0.000000  -0.000000   0.002881  -0.000002  -0.000001  -0.000285
    27  H    0.000000   0.000000   0.000821  -0.000003  -0.000001   0.000286
    28  H    0.005598  -0.073466  -0.000925   0.030461   0.041392  -0.003706
    29  C   -0.024090   0.015742   0.000356  -0.001058  -0.042939   0.001473
    30  H   -0.047513   0.171462  -0.000027   0.001884   0.000276  -0.000022
    31  H    0.013578   0.002594   0.000285  -0.009714   0.022351  -0.000824
    32  H    0.000376  -0.000399   0.000234  -0.001561  -0.002315   0.000197
    33  H   -0.016696   0.003157  -0.000056   0.004416  -0.006826   0.000060
              19         20         21         22         23         24
     1  C    0.109807  -0.022419  -0.113817   0.000760  -0.008483   0.026413
     2  C   -0.198870  -0.055582  -0.004633  -0.029725   0.010994   0.000919
     3  C    0.012682  -0.000048   0.005101  -0.000384   0.000400   0.002209
     4  C    0.007858  -0.010368  -0.001338  -0.000311   0.000495  -0.003188
     5  C    0.030924   0.001463   0.000855   0.000581   0.001391  -0.001507
     6  C   -0.130934   0.143034  -0.034590   0.000843  -0.011747   0.003312
     7  C    0.092100  -0.035414   0.075963  -0.039105   0.066413  -0.162259
     8  C    0.027381   0.025924   0.096396   0.102406   0.087690   0.136356
     9  C   -0.030669   0.023012   0.025115   0.197245   0.177534   0.236126
    10  C    0.013624  -0.107934  -0.073098  -0.015660  -0.005189   0.004636
    11  C   -0.000119  -0.000200  -0.000083   0.000021   0.000022  -0.000208
    12  C    0.000011   0.000120   0.000024  -0.000001  -0.000001  -0.000009
    13  O    0.000001  -0.000021  -0.000004   0.000000   0.000000   0.000004
    14  O   -0.000018  -0.000007   0.000002  -0.000000  -0.000000   0.000013
    15  H    0.040812  -0.026156  -0.084609   0.000179  -0.000420   0.005034
    16  H   -0.000706  -0.000617   0.000697  -0.000013   0.000022  -0.000129
    17  H    0.002114  -0.000574   0.000509   0.000196   0.000107   0.000661
    18  H   -0.048567   0.023597  -0.010154  -0.007344  -0.005360   0.019855
    19  H    1.248078  -0.312105  -0.031261   0.041341  -0.000367  -0.013769
    20  H   -0.312105   1.225539   0.081565  -0.010149  -0.005036   0.005549
    21  H   -0.031261   0.081565   1.305960  -0.016308   0.040349  -0.040871
    22  H    0.041341  -0.010149  -0.016308   0.768044  -0.088596   0.008734
    23  H   -0.000367  -0.005036   0.040349  -0.088596   1.059167  -0.224732
    24  H   -0.013769   0.005549  -0.040871   0.008734  -0.224732   1.023044
    25  H   -0.044967   0.007858   0.003178   0.010334  -0.025392   0.002367
    26  H    0.001742  -0.047974  -0.021353  -0.003007   0.015808  -0.004779
    27  H    0.000595   0.015373   0.017577  -0.012557  -0.004715   0.008644
    28  H   -0.000013   0.000011   0.000000  -0.000001  -0.000001   0.000017
    29  C   -0.000000  -0.000006   0.000014   0.000002  -0.000003   0.000005
    30  H    0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    31  H   -0.000001   0.000002   0.000005  -0.000000  -0.000002   0.000072
    32  H   -0.000001   0.000001  -0.000007   0.000000  -0.000001   0.000009
    33  H   -0.000000   0.000000  -0.000000  -0.000000  -0.000000   0.000001
              25         26         27         28         29         30
     1  C   -0.001802   0.000682   0.000780   0.018838  -0.005732  -0.000408
     2  C    0.003402  -0.000797   0.007074  -0.002806   0.003379  -0.000108
     3  C    0.000084  -0.000174   0.000021   0.142915  -0.082634   0.001917
     4  C   -0.000024  -0.000009  -0.000010  -0.333067   0.049412  -0.008846
     5  C   -0.000149   0.000044  -0.000006  -0.160938  -0.007223   0.001983
     6  C    0.002463  -0.002814   0.001338   0.010320   0.007009  -0.000426
     7  C   -0.006670  -0.022509   0.011974   0.000036  -0.000119  -0.000001
     8  C    0.165395  -0.062025   0.143783   0.000107  -0.000158  -0.000000
     9  C   -0.017073   0.010138  -0.023511  -0.000025   0.000036   0.000000
    10  C    0.098195   0.440785   0.174506  -0.000001   0.000001   0.000000
    11  C    0.000000   0.000000  -0.000001   0.169933   0.333387   0.014055
    12  C    0.000000  -0.000000   0.000000  -0.202334   0.020302   0.104529
    13  O   -0.000000   0.000000   0.000000   0.005598  -0.024090  -0.047513
    14  O   -0.000000  -0.000000   0.000000  -0.073466   0.015742   0.171462
    15  H   -0.000707   0.002881   0.000821  -0.000925   0.000356  -0.000027
    16  H    0.000002  -0.000002  -0.000003   0.030461  -0.001058   0.001884
    17  H   -0.000003  -0.000001  -0.000001   0.041392  -0.042939   0.000276
    18  H    0.000733  -0.000285   0.000286  -0.003706   0.001473  -0.000022
    19  H   -0.044967   0.001742   0.000595  -0.000013  -0.000000   0.000000
    20  H    0.007858  -0.047974   0.015373   0.000011  -0.000006  -0.000000
    21  H    0.003178  -0.021353   0.017577   0.000000   0.000014  -0.000000
    22  H    0.010334  -0.003007  -0.012557  -0.000001   0.000002   0.000000
    23  H   -0.025392   0.015808  -0.004715  -0.000001  -0.000003   0.000000
    24  H    0.002367  -0.004779   0.008644   0.000017   0.000005  -0.000000
    25  H    0.827926  -0.112959  -0.008357  -0.000000   0.000000   0.000000
    26  H   -0.112959   0.866410  -0.098498  -0.000000   0.000000   0.000000
    27  H   -0.008357  -0.098498   0.819177   0.000000   0.000000  -0.000000
    28  H   -0.000000  -0.000000   0.000000   1.444501  -0.227279  -0.006696
    29  C    0.000000   0.000000   0.000000  -0.227279   4.336349   0.003358
    30  H    0.000000   0.000000  -0.000000  -0.006696   0.003358   0.535776
    31  H    0.000000  -0.000000   0.000000   0.013347   0.176167  -0.000354
    32  H    0.000000   0.000000  -0.000000  -0.007940   0.297586   0.000040
    33  H    0.000000   0.000000   0.000000  -0.003038   0.237472   0.000256
              31         32         33
     1  C   -0.001200   0.005148  -0.000779
     2  C   -0.001295   0.000853   0.000524
     3  C    0.008743  -0.025633  -0.005536
     4  C   -0.047650  -0.018232  -0.038433
     5  C    0.053362  -0.006909  -0.017444
     6  C   -0.002184  -0.000848  -0.000185
     7  C    0.000028  -0.000045  -0.000007
     8  C   -0.000034   0.000056   0.000002
     9  C    0.000015  -0.000018  -0.000001
    10  C   -0.000000  -0.000000   0.000000
    11  C    0.067937   0.083064   0.177354
    12  C    0.002064  -0.007712   0.000141
    13  O    0.013578   0.000376  -0.016696
    14  O    0.002594  -0.000399   0.003157
    15  H    0.000285   0.000234  -0.000056
    16  H   -0.009714  -0.001561   0.004416
    17  H    0.022351  -0.002315  -0.006826
    18  H   -0.000824   0.000197   0.000060
    19  H   -0.000001  -0.000001  -0.000000
    20  H    0.000002   0.000001   0.000000
    21  H    0.000005  -0.000007  -0.000000
    22  H   -0.000000   0.000000  -0.000000
    23  H   -0.000002  -0.000001  -0.000000
    24  H    0.000072   0.000009   0.000001
    25  H    0.000000   0.000000   0.000000
    26  H   -0.000000   0.000000   0.000000
    27  H    0.000000  -0.000000   0.000000
    28  H    0.013347  -0.007940  -0.003038
    29  C    0.176167   0.297586   0.237472
    30  H   -0.000354   0.000040   0.000256
    31  H    0.804843  -0.018836  -0.107503
    32  H   -0.018836   0.675151  -0.005164
    33  H   -0.107503  -0.005164   0.683113
 Mulliken charges:
               1
     1  C   -0.534676
     2  C   -1.382715
     3  C   -0.152804
     4  C   -1.187851
     5  C   -0.575817
     6  C   -0.493639
     7  C    1.238246
     8  C   -1.577017
     9  C    0.898377
    10  C    0.795811
    11  C   -0.204135
    12  C    0.271815
    13  O   -0.219635
    14  O   -0.249494
    15  H    0.260524
    16  H    0.358337
    17  H    0.696363
    18  H    0.519372
    19  H    0.183297
    20  H    0.081561
    21  H   -0.221184
    22  H    0.092474
    23  H   -0.080348
    24  H   -0.032528
    25  H    0.096165
    26  H    0.038696
    27  H   -0.054289
    28  H    0.144760
    29  C    0.909192
    30  H    0.228865
    31  H    0.024203
    32  H    0.032906
    33  H    0.095171
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.274152
     2  C   -1.382715
     3  C    0.205533
     4  C   -1.187851
     5  C    0.120546
     6  C    0.025732
     7  C    1.503104
     8  C   -1.798201
     9  C    0.877975
    10  C    0.876383
    11  C   -0.059375
    12  C    0.271815
    13  O   -0.219635
    14  O   -0.020629
    29  C    1.061471
 Electronic spatial extent (au):  <R**2>=           4744.3534
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0980    Y=              0.4011    Z=              1.2226  Tot=              1.6915
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -89.9557   YY=            -89.1815   ZZ=            -92.4027
   XY=              1.6922   XZ=              6.5531   YZ=              0.2685
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5576   YY=              1.3318   ZZ=             -1.8894
   XY=              1.6922   XZ=              6.5531   YZ=              0.2685
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             26.9217  YYY=            -14.9910  ZZZ=              3.9107  XYY=             28.4118
  XXY=             -9.2401  XXZ=             30.8111  XZZ=             -9.6739  YZZ=              3.1053
  YYZ=              1.5255  XYZ=             -9.2420
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5205.2130 YYYY=           -589.3753 ZZZZ=           -514.3047 XXXY=            -97.7630
 XXXZ=            153.7549 YYYX=            -59.7104 YYYZ=            -10.1998 ZZZX=              1.6946
 ZZZY=             10.6928 XXYY=           -887.2614 XXZZ=          -1012.8218 YYZZ=           -189.8667
 XXYZ=            -54.8839 YYXZ=             30.5129 ZZXY=              6.9803
 N-N= 9.705421025730D+02 E-N=-3.462658200613D+03  KE= 6.480792258971D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep 29 13:35:38 2021, MaxMem=  6442450944 cpu:               5.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.95197388D-01 1.16479224D-01 4.67266297D-01
 Polarizability= 2.07637691D+02 8.59182934D+00 1.29803752D+02
                -3.67801499D+00 6.80300155D+00 1.42111099D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.1100    2.1272        4.5712    4.5605
 2     -2.1100   -2.1272       -3.5987   -3.5979      -40.3823  -40.3906
 3     -4.5712   -4.5605       33.7436   33.7415        3.5970    3.5979
 4      3.5987    3.5979       -0.0000    0.0000       -4.5711   -4.5605
 5      6.6387    6.6491        4.5711    4.5605        2.1229    2.1272
 6     -3.5970   -3.5979       -2.1229   -2.1272       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -6.3815   -6.3815       13.6815   13.6815
 2     10.7938   10.7938       -0.0000    0.0000       13.6815   13.6815
 3     10.7938   10.7938       -6.3815   -6.3815        0.0000    0.0000
 4     -6.3815   -6.3815      -10.7938  -10.7938     -121.1717 -121.1717
 5    -13.6815  -13.6815      101.2246  101.2246       10.7938   10.7938
 6     19.9472   19.9472       13.6815   13.6815        6.3815    6.3815
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4500    0.0000       -9.3196   -8.5086      -18.2866  -18.2419
 2      8.3806    8.5086       14.2297   14.3917      161.4577  161.5623
 3     18.5535   18.2419     -135.1442 -134.9661      -14.0869  -14.3917
 4    -14.0798  -14.3917        0.0104    0.0000       17.9319   18.2419
 5    -26.4556  -26.5962      -17.8415  -18.2419       -8.4329   -8.5086
 6     14.1449   14.3917        8.5071    8.5086       -0.3151    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6137    0.0000       19.0466   18.7985       41.4706   41.9408
 2    -18.9530  -18.7985       19.1598   18.5663       39.8282   39.8254
 3    -41.2889  -41.9408        4.0732    3.2741      -18.5214  -18.5663
 4    -18.8507  -18.5663       -0.1372    0.0000      -42.2878  -41.9408
 5    -42.9011  -43.0995       41.6135   41.9408       18.3316   18.7985
 6     18.4130   18.5663      -18.7512  -18.7985        0.5258    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     17.9453   17.8916       19.6611   19.9125      -22.8361  -22.5722
 2    -25.2363  -25.4119       69.2798   69.7389      -23.1084  -22.5722
 3    -25.4270  -25.4119       19.3185   19.9125      -52.5445  -51.7462
 4    -49.9398  -49.8264       43.7603   43.3035       44.5823   44.3956
 5    -28.4088  -29.1740       31.5232   30.3877      -42.0608  -43.3035
 6    -75.1383  -74.7833       27.8074   29.1740       49.6189   49.8264
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2480   -1.2187   -0.0003    0.0004    0.0007    1.8638
 Low frequencies ---   24.3249   38.3693   46.1605
 Diagonal vibrational polarizability:
       40.5311553      25.9089100       8.2901328
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.2900                38.3680                46.1577
 Red. masses --      3.6983                 6.7213                 4.7057
 Frc consts  --      0.0013                 0.0058                 0.0059
 IR Inten    --      0.1945                 1.3119                 0.6384
 RamAct Fr= 1--      0.2467                 0.9899                 1.7819
  Dep-P Fr= 1--      0.7260                 0.7498                 0.7466
  Dep-U Fr= 1--      0.8412                 0.8570                 0.8549
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0346                 0.1414                 0.2539
 AlphaG Fr= 1--     -0.0007                -0.0003                 0.0013
 Gamma2 Fr= 1--      0.2801                -0.8762                 0.0529
 Delta2 Fr= 1--      0.2067                -0.2457                -0.8130
 Raman1 Fr= 1--       0.987                  3.960                  7.128
 ROA1   Fr= 1--      33.503                -91.977                -20.942
 CID1   Fr= 1--      33.954                -23.228                 -2.938
 Raman2 Fr= 1--       0.415                  1.697                  3.047
 ROA2   Fr= 1--       5.069                -19.063                  7.773
 CID2   Fr= 1--      12.214                -11.235                  2.551
 Raman3 Fr= 1--       0.830                  3.393                  6.094
 ROA3   Fr= 1--      33.503                -91.977                -20.942
 CID3   Fr= 1--      40.362                -27.104                 -3.437
 RC180  Fr= 1--       0.682                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.10    -0.01  -0.09   0.02     0.04  -0.23   0.06
     2   6     0.01  -0.02  -0.08    -0.03  -0.08   0.00    -0.01  -0.09  -0.00
     3   6    -0.00   0.07  -0.10    -0.01  -0.10   0.03     0.04  -0.22   0.06
     4   6    -0.00   0.03  -0.07    -0.03  -0.09   0.03    -0.02  -0.07   0.00
     5   6     0.00  -0.04  -0.06    -0.03  -0.10   0.03    -0.06   0.05  -0.05
     6   6     0.01  -0.06  -0.06    -0.04  -0.09   0.01    -0.05   0.04  -0.05
     7   6     0.02  -0.04  -0.09    -0.05  -0.01  -0.04    -0.03  -0.03  -0.03
     8   6    -0.02   0.05   0.06     0.02   0.07  -0.03     0.03   0.08   0.02
     9   6    -0.05  -0.02   0.25     0.10   0.05   0.01     0.08   0.04   0.13
    10   6    -0.01   0.02   0.01    -0.01   0.15  -0.08     0.00   0.15  -0.04
    11   6    -0.00   0.03  -0.06    -0.05  -0.02   0.03    -0.04   0.00  -0.03
    12   6     0.00   0.00   0.08     0.02   0.04  -0.00     0.04   0.06  -0.01
    13   8     0.03  -0.10   0.12    -0.22  -0.10  -0.04     0.21   0.17   0.01
    14   8    -0.03   0.10   0.14     0.40   0.26   0.03    -0.09  -0.02  -0.02
    15   1     0.00   0.08  -0.12    -0.01  -0.09   0.01     0.07  -0.33   0.10
    16   1    -0.01   0.11  -0.11     0.00  -0.10   0.04     0.07  -0.31   0.10
    17   1     0.00  -0.07  -0.04    -0.04  -0.09   0.03    -0.10   0.16  -0.10
    18   1     0.02  -0.11  -0.05    -0.05  -0.09   0.01    -0.09   0.14  -0.10
    19   1     0.05  -0.18  -0.08    -0.07  -0.03  -0.05    -0.04  -0.08  -0.04
    20   1     0.02   0.01  -0.22    -0.09   0.01  -0.08    -0.07   0.00  -0.11
    21   1    -0.05   0.20   0.05     0.05   0.07  -0.02     0.05   0.14   0.03
    22   1    -0.03  -0.17   0.27     0.08   0.05   0.00     0.07  -0.02   0.13
    23   1    -0.08   0.04   0.36     0.14   0.10   0.02     0.11   0.11   0.17
    24   1    -0.06   0.00   0.29     0.12  -0.01   0.04     0.09   0.00   0.17
    25   1     0.01  -0.13   0.02    -0.04   0.15  -0.09    -0.02   0.09  -0.05
    26   1     0.00   0.08  -0.13    -0.06   0.17  -0.11    -0.04   0.18  -0.12
    27   1    -0.04   0.09   0.12     0.04   0.21  -0.08     0.04   0.23  -0.01
    28   1    -0.04   0.11  -0.07    -0.06  -0.01   0.02    -0.05   0.04  -0.03
    29   6     0.05  -0.05  -0.13    -0.12  -0.00   0.02    -0.13   0.00  -0.05
    30   1    -0.03   0.07   0.23     0.42   0.28   0.02    -0.02   0.02  -0.01
    31   1     0.04  -0.04  -0.23    -0.18  -0.05   0.02    -0.18  -0.04  -0.04
    32   1     0.10  -0.13  -0.12    -0.10  -0.02   0.03    -0.14  -0.03  -0.04
    33   1     0.05  -0.05  -0.11    -0.14   0.07   0.03    -0.15   0.06  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --     50.3115                70.4612                95.1085
 Red. masses --      3.1810                 3.1549                 5.4221
 Frc consts  --      0.0047                 0.0092                 0.0289
 IR Inten    --      0.2198                 0.0953                 0.1841
 RamAct Fr= 1--      2.0675                 1.6795                 2.2710
  Dep-P Fr= 1--      0.7380                 0.7254                 0.6429
  Dep-U Fr= 1--      0.8493                 0.8409                 0.7826
 Alpha2 Fr= 1--      0.0004                 0.0007                 0.0044
 Beta2  Fr= 1--      0.2927                 0.2354                 0.2962
 AlphaG Fr= 1--     -0.0012                 0.0004                 0.0028
 Gamma2 Fr= 1--     -0.2747                 0.0570                 0.0770
 Delta2 Fr= 1--     -0.0408                 0.4296                 0.1198
 Raman1 Fr= 1--       8.270                  6.718                  9.084
 ROA1   Fr= 1--     -27.680                 19.219                 11.231
 CID1   Fr= 1--      -3.347                  2.861                  1.236
 Raman2 Fr= 1--       3.512                  2.824                  3.555
 ROA2   Fr= 1--      -6.267                 -2.070                  0.891
 CID2   Fr= 1--      -1.785                 -0.733                  0.251
 Raman3 Fr= 1--       7.024                  5.649                  7.110
 ROA3   Fr= 1--     -27.680                 19.219                 11.231
 CID3   Fr= 1--      -3.941                  3.402                  1.580
 RC180  Fr= 1--       0.699                  0.682                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05     0.05  -0.05  -0.06    -0.07   0.08  -0.04
     2   6    -0.00  -0.06  -0.01    -0.00   0.01  -0.11    -0.06   0.10  -0.03
     3   6    -0.04   0.06  -0.05     0.06  -0.05  -0.02    -0.03  -0.04  -0.02
     4   6    -0.02  -0.01  -0.02     0.00   0.01  -0.02     0.03  -0.13   0.00
     5   6     0.01  -0.13   0.03    -0.06   0.09  -0.08     0.04  -0.11   0.01
     6   6     0.02  -0.15   0.03    -0.06   0.09  -0.13     0.00   0.00  -0.00
     7   6    -0.01  -0.04  -0.00     0.01  -0.04  -0.11    -0.07   0.13   0.02
     8   6     0.01  -0.03  -0.01    -0.08  -0.02   0.01    -0.14   0.04  -0.00
     9   6     0.19   0.02  -0.15     0.02  -0.01  -0.01    -0.23   0.06  -0.05
    10   6    -0.05   0.10   0.16    -0.09   0.00   0.23    -0.11  -0.06   0.05
    11   6    -0.03   0.03  -0.02     0.02  -0.02   0.06     0.02  -0.10  -0.00
    12   6    -0.00   0.04   0.03     0.01  -0.02   0.02     0.16  -0.00   0.01
    13   8     0.08   0.05   0.05    -0.03  -0.01   0.01     0.29   0.08   0.03
    14   8    -0.07   0.04   0.05     0.06  -0.02   0.01     0.19   0.01   0.01
    15   1    -0.05   0.10  -0.08     0.10  -0.10  -0.05    -0.11   0.15  -0.06
    16   1    -0.06   0.14  -0.08     0.11  -0.10   0.03    -0.06  -0.04  -0.04
    17   1     0.03  -0.19   0.05    -0.11   0.14  -0.09     0.07  -0.18   0.03
    18   1     0.04  -0.23   0.06    -0.11   0.14  -0.17     0.03   0.01   0.01
    19   1    -0.01  -0.01  -0.00     0.05  -0.13  -0.09    -0.04   0.18   0.03
    20   1    -0.04  -0.04   0.02     0.03  -0.01  -0.17    -0.07   0.10   0.09
    21   1    -0.08  -0.16  -0.05    -0.22  -0.04  -0.05    -0.17   0.03  -0.01
    22   1     0.30   0.16  -0.12     0.20   0.00   0.05    -0.26   0.07  -0.06
    23   1     0.17   0.01  -0.15    -0.09  -0.03   0.09    -0.26   0.00  -0.09
    24   1     0.22  -0.06  -0.30     0.02  -0.01  -0.20    -0.26   0.12  -0.05
    25   1     0.03   0.26   0.20     0.05   0.05   0.29    -0.07  -0.07   0.07
    26   1    -0.18   0.05   0.29    -0.17  -0.01   0.27    -0.05  -0.07   0.08
    27   1    -0.03   0.09   0.14    -0.17  -0.01   0.30    -0.17  -0.12   0.06
    28   1    -0.05   0.06  -0.03    -0.01  -0.08   0.09    -0.01  -0.08  -0.00
    29   6    -0.05   0.00  -0.05     0.08   0.04   0.14    -0.05  -0.08  -0.00
    30   1    -0.05   0.04   0.08     0.06  -0.01  -0.02     0.32   0.10   0.02
    31   1    -0.08  -0.01  -0.09     0.08   0.04   0.16    -0.11  -0.13  -0.01
    32   1    -0.02  -0.03  -0.05     0.10   0.10   0.11    -0.01  -0.10  -0.00
    33   1    -0.06   0.03  -0.05     0.08   0.02   0.19    -0.07  -0.01   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    178.2726               202.2722               221.8914
 Red. masses --      3.1070                 3.0324                 1.0863
 Frc consts  --      0.0582                 0.0731                 0.0315
 IR Inten    --      0.0958                 0.3701                 0.0980
 RamAct Fr= 1--      0.7131                 0.2447                 0.2030
  Dep-P Fr= 1--      0.6111                 0.6881                 0.2071
  Dep-U Fr= 1--      0.7586                 0.8152                 0.3431
 Alpha2 Fr= 1--      0.0018                 0.0003                 0.0027
 Beta2  Fr= 1--      0.0902                 0.0333                 0.0116
 AlphaG Fr= 1--     -0.0051                -0.0017                -0.0006
 Gamma2 Fr= 1--      0.2174                 0.4118                 0.2124
 Delta2 Fr= 1--      0.1845                 0.3094                 0.1072
 Raman1 Fr= 1--       2.852                  0.979                  0.812
 ROA1   Fr= 1--      26.770                 49.436                 23.819
 CID1   Fr= 1--       9.385                 50.502                 29.339
 Raman2 Fr= 1--       1.082                  0.399                  0.139
 ROA2   Fr= 1--       3.741                  7.409                  4.239
 CID2   Fr= 1--       3.458                 18.567                 30.433
 Raman3 Fr= 1--       2.164                  0.798                  0.279
 ROA3   Fr= 1--      26.770                 49.436                 23.819
 CID3   Fr= 1--      12.372                 61.947                 85.502
 RC180  Fr= 1--       0.517                  0.630                 -0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.04  -0.00     0.05  -0.10  -0.02    -0.01   0.03  -0.00
     2   6    -0.05  -0.06   0.05     0.05  -0.03  -0.03    -0.00   0.02   0.00
     3   6    -0.12   0.00  -0.10     0.06  -0.12  -0.04    -0.01   0.01  -0.00
     4   6    -0.06   0.02  -0.14     0.05  -0.06  -0.06    -0.00  -0.01   0.00
     5   6    -0.02   0.04  -0.11     0.08  -0.10  -0.04    -0.00   0.02  -0.00
     6   6    -0.00   0.00  -0.01     0.09  -0.08  -0.02    -0.01   0.03  -0.00
     7   6    -0.06  -0.04   0.14     0.02   0.10   0.03     0.01  -0.01   0.00
     8   6     0.01  -0.04   0.06    -0.01   0.07   0.01     0.01  -0.01   0.00
     9   6     0.05  -0.03   0.02    -0.11   0.09  -0.04     0.03  -0.02   0.02
    10   6    -0.01   0.04  -0.06     0.03  -0.03   0.05     0.01  -0.00  -0.01
    11   6    -0.03  -0.03  -0.03     0.01   0.05  -0.02    -0.00  -0.01   0.01
    12   6     0.01  -0.01  -0.01    -0.03   0.03  -0.01     0.00  -0.01   0.00
    13   8     0.08   0.00   0.01    -0.07  -0.05   0.01    -0.01   0.00  -0.00
    14   8     0.04   0.04   0.02    -0.11   0.06   0.03     0.01  -0.02  -0.01
    15   1    -0.15  -0.06   0.03     0.03  -0.12  -0.00    -0.02   0.04  -0.00
    16   1    -0.17  -0.00  -0.14     0.05  -0.14  -0.03    -0.01   0.01  -0.00
    17   1     0.02   0.06  -0.15     0.11  -0.12  -0.04     0.00   0.02  -0.01
    18   1     0.05   0.02   0.02     0.10  -0.08  -0.01    -0.01   0.04  -0.00
    19   1    -0.03   0.07   0.15     0.06   0.19   0.05     0.00  -0.02   0.00
    20   1    -0.11  -0.07   0.23    -0.07   0.08   0.11     0.03  -0.01  -0.00
    21   1     0.10  -0.08   0.09    -0.01   0.06   0.01     0.02  -0.01   0.00
    22   1    -0.10   0.03  -0.03    -0.31   0.14  -0.12     0.13  -0.04   0.06
    23   1     0.19   0.01  -0.09    -0.00   0.06  -0.20    -0.05  -0.02   0.09
    24   1     0.08  -0.10   0.15    -0.12   0.10   0.13     0.02   0.01  -0.08
    25   1    -0.13   0.12  -0.11     0.10  -0.14   0.08    -0.03   0.08  -0.03
    26   1    -0.03   0.02  -0.01     0.08   0.00  -0.03     0.02  -0.04   0.07
    27   1     0.10   0.05  -0.17    -0.06  -0.03   0.15     0.04  -0.05  -0.09
    28   1    -0.12  -0.12   0.02    -0.05  -0.00   0.01    -0.01  -0.00   0.01
    29   6     0.18   0.07   0.12    -0.01   0.14   0.08    -0.03  -0.02  -0.00
    30   1     0.10   0.07   0.04    -0.19  -0.02   0.08     0.00  -0.02  -0.03
    31   1     0.21   0.09   0.11    -0.21   0.00   0.01    -0.42  -0.24  -0.33
    32   1     0.33   0.19   0.04     0.24   0.16   0.01     0.49  -0.20  -0.05
    33   1     0.20   0.00   0.33    -0.08   0.34   0.29    -0.16   0.37   0.36
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.0970               240.5552               252.6460
 Red. masses --      1.0975                 2.8311                 1.1559
 Frc consts  --      0.0339                 0.0965                 0.0435
 IR Inten    --      0.2882                 0.8810                 0.0444
 RamAct Fr= 1--      0.0604                 2.0500                 0.3100
  Dep-P Fr= 1--      0.7400                 0.2052                 0.7490
  Dep-U Fr= 1--      0.8506                 0.3405                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0275                 0.0000
 Beta2  Fr= 1--      0.0086                 0.1163                 0.0443
 AlphaG Fr= 1--     -0.0002                -0.0055                -0.0006
 Gamma2 Fr= 1--     -0.1667                -0.0960                -0.4551
 Delta2 Fr= 1--     -0.0168                 0.0948                -0.1880
 Raman1 Fr= 1--       0.241                  8.200                  1.240
 ROA1   Fr= 1--     -16.542                 -6.188                -49.711
 CID1   Fr= 1--     -68.520                 -0.755                -40.089
 Raman2 Fr= 1--       0.103                  1.396                  0.531
 ROA2   Fr= 1--      -3.866                 -3.063                 -9.419
 CID2   Fr= 1--     -37.658                 -2.194                -17.738
 Raman3 Fr= 1--       0.205                  2.792                  1.062
 ROA3   Fr= 1--     -16.542                 -6.188                -49.711
 CID3   Fr= 1--     -80.556                 -2.216                -46.806
 RC180  Fr= 1--       0.701                 -0.319                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.05  -0.08   0.06    -0.02  -0.03   0.03
     2   6     0.01   0.00  -0.00    -0.01  -0.07   0.02    -0.01  -0.01   0.03
     3   6     0.01  -0.02  -0.01     0.04  -0.01   0.07    -0.02  -0.02   0.01
     4   6     0.01  -0.01  -0.01     0.01   0.07   0.04    -0.01   0.00  -0.01
     5   6     0.02  -0.02  -0.01    -0.01  -0.03   0.05     0.00  -0.02   0.01
     6   6     0.02  -0.01  -0.00    -0.00  -0.09   0.04     0.00  -0.02   0.03
     7   6     0.00   0.01   0.00    -0.04  -0.02  -0.04    -0.02   0.02   0.00
     8   6    -0.00   0.01   0.00    -0.07   0.01  -0.02    -0.01   0.02  -0.02
     9   6    -0.03   0.00   0.03    -0.10   0.01  -0.02     0.01   0.02  -0.02
    10   6    -0.00   0.01  -0.03    -0.09   0.06   0.00     0.01  -0.02  -0.02
    11   6     0.00   0.01  -0.01     0.03   0.07   0.01    -0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.01   0.01  -0.01
    13   8    -0.00  -0.02   0.00    -0.05   0.10  -0.02     0.00   0.01  -0.01
    14   8    -0.02   0.02   0.01     0.02  -0.01  -0.04    -0.00   0.02  -0.00
    15   1     0.00  -0.02   0.00     0.11  -0.11   0.05    -0.03  -0.04   0.04
    16   1     0.01  -0.03  -0.01     0.05  -0.01   0.08    -0.03  -0.03   0.00
    17   1     0.03  -0.03  -0.01    -0.05  -0.03   0.08     0.02  -0.02   0.00
    18   1     0.02  -0.01   0.00    -0.00  -0.13   0.05     0.02  -0.02   0.04
    19   1     0.01   0.01   0.00    -0.05  -0.07  -0.05    -0.05   0.05  -0.01
    20   1     0.00   0.02  -0.00    -0.05   0.00  -0.10    -0.03   0.01   0.02
    21   1     0.00   0.02   0.01    -0.08   0.01  -0.02    -0.01   0.02  -0.02
    22   1     0.26  -0.07   0.13    -0.23   0.02  -0.07     0.44  -0.03   0.14
    23   1    -0.29  -0.06   0.22    -0.03   0.01  -0.10    -0.34  -0.07   0.25
    24   1    -0.08   0.13  -0.25    -0.10   0.01   0.10    -0.05   0.16  -0.44
    25   1    -0.19   0.42  -0.09    -0.15   0.25  -0.01     0.12  -0.34   0.01
    26   1     0.06  -0.16   0.38    -0.13  -0.01   0.16     0.01   0.10  -0.32
    27   1     0.12  -0.23  -0.40    -0.03   0.00  -0.13    -0.09   0.13   0.24
    28   1     0.00  -0.01  -0.01     0.04   0.12  -0.01    -0.02   0.00  -0.01
    29   6    -0.01   0.03   0.02     0.22  -0.06  -0.10     0.06   0.00  -0.00
    30   1    -0.03   0.00   0.03    -0.00  -0.00  -0.09     0.00   0.02   0.00
    31   1     0.07   0.06   0.11     0.20  -0.01  -0.37     0.08   0.03  -0.03
    32   1    -0.11   0.09   0.02     0.44  -0.22  -0.09     0.10   0.01  -0.01
    33   1     0.02  -0.04  -0.05     0.23  -0.09   0.07     0.07  -0.03   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    287.8819               323.1799               348.5909
 Red. masses --      3.6294                 2.9641                 3.2217
 Frc consts  --      0.1772                 0.1824                 0.2307
 IR Inten    --      0.6678                 0.6833                 1.0830
 RamAct Fr= 1--      2.1122                 0.5125                 2.1689
  Dep-P Fr= 1--      0.0904                 0.6988                 0.7358
  Dep-U Fr= 1--      0.1658                 0.8227                 0.8478
 Alpha2 Fr= 1--      0.0379                 0.0005                 0.0005
 Beta2  Fr= 1--      0.0584                 0.0703                 0.3065
 AlphaG Fr= 1--      0.0101                 0.0010                 0.0028
 Gamma2 Fr= 1--      0.0667                -0.0986                 0.3914
 Delta2 Fr= 1--     -0.0297                -0.2964                -0.1384
 Raman1 Fr= 1--       8.449                  2.050                  8.675
 ROA1   Fr= 1--       5.451                -18.950                 33.149
 CID1   Fr= 1--       0.645                 -9.243                  3.821
 Raman2 Fr= 1--       0.700                  0.843                  3.678
 ROA2   Fr= 1--       1.838                  0.004                 10.502
 CID2   Fr= 1--       2.624                  0.005                  2.856
 Raman3 Fr= 1--       1.400                  1.687                  7.355
 ROA3   Fr= 1--       5.451                -18.950                 33.149
 CID3   Fr= 1--       3.893                -11.235                  4.507
 RC180  Fr= 1--      -0.668                  0.645                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.08     0.03   0.03  -0.08    -0.07   0.07   0.02
     2   6     0.01  -0.04  -0.05     0.02   0.04  -0.07    -0.05   0.18   0.00
     3   6    -0.04  -0.01  -0.07     0.07  -0.04  -0.04    -0.01  -0.15   0.03
     4   6    -0.07  -0.02  -0.04     0.07  -0.05  -0.03     0.02  -0.13  -0.00
     5   6    -0.06  -0.01  -0.05     0.06  -0.03  -0.05     0.06  -0.11   0.02
     6   6    -0.03  -0.03  -0.05     0.06   0.02  -0.08     0.00   0.08   0.03
     7   6     0.04   0.07   0.04    -0.00   0.03   0.15    -0.02   0.07  -0.07
     8   6     0.10   0.09   0.04    -0.05  -0.09   0.05    -0.04  -0.01  -0.08
     9   6     0.02   0.11   0.01     0.01  -0.08   0.01     0.15  -0.07   0.06
    10   6     0.19  -0.11   0.06    -0.12   0.08  -0.07    -0.02  -0.09   0.00
    11   6    -0.09  -0.02   0.08     0.04   0.04   0.07    -0.02  -0.00  -0.01
    12   6    -0.06   0.02   0.09     0.01   0.05   0.09    -0.03   0.05  -0.01
    13   8    -0.09   0.17   0.03    -0.11   0.10   0.03    -0.05   0.07  -0.02
    14   8     0.05  -0.06   0.01     0.01  -0.07   0.02    -0.06   0.07   0.01
    15   1    -0.04  -0.03  -0.07     0.04   0.06  -0.09    -0.14   0.08   0.05
    16   1    -0.01   0.01  -0.06     0.07  -0.06  -0.03    -0.02  -0.25   0.04
    17   1    -0.05   0.00  -0.06     0.06  -0.03  -0.05     0.13  -0.16   0.02
    18   1    -0.06  -0.04  -0.07     0.06   0.04  -0.08     0.04   0.12   0.04
    19   1     0.08   0.14   0.06     0.13   0.28   0.20    -0.08   0.04  -0.10
    20   1    -0.08   0.06   0.08    -0.06  -0.07   0.41     0.13   0.05  -0.07
    21   1     0.12   0.10   0.05     0.00  -0.15   0.07    -0.09   0.02  -0.10
    22   1     0.01   0.14   0.00     0.12  -0.07   0.05     0.08  -0.15   0.04
    23   1    -0.02   0.05  -0.03    -0.06  -0.09   0.07     0.35   0.17   0.11
    24   1    -0.01   0.17  -0.01     0.01  -0.09  -0.10     0.24  -0.31   0.21
    25   1     0.18  -0.05   0.06    -0.20  -0.01  -0.11     0.02  -0.04   0.02
    26   1     0.41  -0.17   0.22    -0.26   0.15  -0.25     0.07  -0.13   0.10
    27   1     0.08  -0.33  -0.04     0.03   0.29  -0.02    -0.09  -0.21  -0.04
    28   1    -0.17   0.03   0.08    -0.04   0.10   0.06    -0.06   0.00  -0.01
    29   6     0.02  -0.14  -0.02    -0.03  -0.04  -0.02     0.10  -0.02  -0.00
    30   1     0.11   0.02  -0.11    -0.08  -0.09  -0.08    -0.08   0.05   0.06
    31   1     0.12  -0.04  -0.11    -0.01  -0.02  -0.03     0.19   0.06  -0.04
    32   1    -0.03  -0.23   0.03    -0.14  -0.12   0.03     0.13   0.00  -0.02
    33   1     0.06  -0.27  -0.07    -0.03  -0.04  -0.16     0.14  -0.14   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    385.3789               411.0532               418.5925
 Red. masses --      2.6684                 3.0932                 2.8294
 Frc consts  --      0.2335                 0.3079                 0.2921
 IR Inten    --      0.3486                 3.2350                 0.0460
 RamAct Fr= 1--      0.7987                 3.9507                 0.1081
  Dep-P Fr= 1--      0.1035                 0.1540                 0.2221
  Dep-U Fr= 1--      0.1876                 0.2669                 0.3634
 Alpha2 Fr= 1--      0.0139                 0.0605                 0.0014
 Beta2  Fr= 1--      0.0250                 0.1758                 0.0066
 AlphaG Fr= 1--     -0.0001                -0.0400                 0.0186
 Gamma2 Fr= 1--     -0.2900                 0.1048                -0.0002
 Delta2 Fr= 1--     -0.0647                 0.1833                 0.0049
 Raman1 Fr= 1--       3.195                 15.803                  0.433
 ROA1   Fr= 1--     -29.907                 15.929                  0.139
 CID1   Fr= 1--      -9.361                  1.008                  0.322
 Raman2 Fr= 1--       0.300                  2.109                  0.079
 ROA2   Fr= 1--      -6.441                  1.049                 -0.044
 CID2   Fr= 1--     -21.492                  0.498                 -0.561
 Raman3 Fr= 1--       0.599                  4.218                  0.157
 ROA3   Fr= 1--     -29.907                 15.929                  0.139
 CID3   Fr= 1--     -49.894                  3.776                  0.886
 RC180  Fr= 1--      -0.625                 -0.466                 -0.273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.08     0.00   0.07  -0.08    -0.07   0.18  -0.06
     2   6     0.03   0.04   0.12     0.03   0.03  -0.06    -0.01  -0.00   0.02
     3   6    -0.06  -0.02  -0.09     0.03  -0.05   0.05     0.05  -0.18   0.07
     4   6    -0.00  -0.04  -0.10    -0.03  -0.08   0.08     0.01  -0.02  -0.01
     5   6     0.09  -0.00  -0.06    -0.05  -0.01   0.06    -0.04   0.17  -0.08
     6   6     0.07   0.07   0.08    -0.05   0.02  -0.03     0.06  -0.16   0.08
     7   6     0.07  -0.08  -0.09     0.08  -0.02   0.05     0.00  -0.05  -0.01
     8   6     0.07  -0.03  -0.06     0.12  -0.06  -0.00    -0.01   0.01   0.05
     9   6    -0.10  -0.04  -0.04    -0.09  -0.07  -0.02    -0.00   0.04  -0.02
    10   6     0.02   0.10   0.03     0.08   0.12   0.04    -0.01  -0.01  -0.01
    11   6    -0.03  -0.02   0.01    -0.06  -0.07  -0.00     0.01   0.01  -0.00
    12   6    -0.01   0.01   0.06    -0.06  -0.01  -0.09     0.01   0.01   0.01
    13   8    -0.06   0.07   0.03     0.03   0.01  -0.07    -0.01   0.00   0.01
    14   8     0.02  -0.04   0.03    -0.08   0.15  -0.01     0.00  -0.01   0.00
    15   1    -0.15  -0.04   0.15    -0.00   0.14  -0.12    -0.14   0.39  -0.14
    16   1    -0.13  -0.03  -0.14     0.10  -0.05   0.09     0.09  -0.38   0.14
    17   1     0.21  -0.01  -0.12    -0.07   0.01   0.06    -0.10   0.38  -0.17
    18   1     0.15   0.12   0.12    -0.12  -0.01  -0.07     0.13  -0.35   0.17
    19   1    -0.08  -0.35  -0.15     0.13   0.11   0.08     0.00  -0.20  -0.02
    20   1     0.24   0.00  -0.34     0.05  -0.06   0.18     0.03   0.00  -0.16
    21   1     0.04   0.00  -0.07     0.16  -0.08   0.01    -0.01   0.01   0.05
    22   1    -0.17  -0.13  -0.06    -0.14  -0.17  -0.03     0.01   0.14  -0.02
    23   1    -0.19  -0.15  -0.05    -0.24  -0.23  -0.03    -0.00  -0.01  -0.07
    24   1    -0.17   0.13   0.02    -0.20   0.18   0.02     0.00   0.04  -0.07
    25   1     0.13   0.17   0.08     0.15   0.19   0.07    -0.06  -0.05  -0.04
    26   1    -0.17   0.10   0.03    -0.15   0.14   0.01     0.04  -0.00  -0.04
    27   1     0.05   0.20   0.11     0.16   0.27   0.11     0.02  -0.01  -0.04
    28   1    -0.13   0.00   0.03     0.02  -0.13  -0.00    -0.01   0.02  -0.00
    29   6    -0.03  -0.02   0.01     0.05  -0.09   0.04     0.00   0.01  -0.01
    30   1     0.02  -0.02  -0.04     0.04   0.17   0.17    -0.02  -0.02  -0.02
    31   1    -0.02  -0.02   0.04     0.11  -0.02  -0.03     0.00   0.01   0.01
    32   1    -0.07  -0.02   0.02     0.13  -0.07   0.02    -0.01   0.02  -0.00
    33   1    -0.03  -0.03  -0.02     0.08  -0.19   0.15     0.00   0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.6792               478.2506               511.3029
 Red. masses --      2.0767                 3.8604                 3.0577
 Frc consts  --      0.2207                 0.5202                 0.4710
 IR Inten    --      0.6577                11.4353                 1.6194
 RamAct Fr= 1--      0.4051                 0.9237                 0.5574
  Dep-P Fr= 1--      0.3502                 0.2328                 0.5979
  Dep-U Fr= 1--      0.5187                 0.3777                 0.7484
 Alpha2 Fr= 1--      0.0036                 0.0115                 0.0016
 Beta2  Fr= 1--      0.0350                 0.0581                 0.0695
 AlphaG Fr= 1--     -0.0136                -0.0032                -0.0025
 Gamma2 Fr= 1--     -0.0848                -0.0934                 0.0175
 Delta2 Fr= 1--     -0.0376                 0.1986                 0.1335
 Raman1 Fr= 1--       1.620                  3.695                  2.229
 ROA1   Fr= 1--      -9.347                 -2.614                  5.950
 CID1   Fr= 1--      -5.769                 -0.708                  2.669
 Raman2 Fr= 1--       0.420                  0.698                  0.834
 ROA2   Fr= 1--      -1.735                 -3.831                 -0.648
 CID2   Fr= 1--      -4.128                 -5.491                 -0.777
 Raman3 Fr= 1--       0.840                  1.395                  1.668
 ROA3   Fr= 1--      -9.347                 -2.614                  5.950
 CID3   Fr= 1--     -11.121                 -1.873                  3.566
 RC180  Fr= 1--       0.037                 -0.245                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.10   0.06  -0.02     0.02  -0.04  -0.03
     2   6     0.00   0.02  -0.01    -0.12   0.00  -0.03     0.03   0.18  -0.08
     3   6     0.01   0.01  -0.01    -0.05  -0.06   0.06     0.01  -0.07   0.01
     4   6     0.02  -0.06   0.02     0.04  -0.09   0.05    -0.13   0.12  -0.03
     5   6     0.03  -0.07   0.02    -0.06  -0.12   0.02    -0.02  -0.04   0.08
     6   6    -0.02   0.08  -0.03    -0.13   0.06  -0.08    -0.01  -0.01   0.04
     7   6     0.03  -0.11   0.01    -0.06  -0.08   0.03     0.10   0.03   0.00
     8   6    -0.04   0.00   0.19     0.10  -0.02   0.02     0.01  -0.04   0.07
     9   6     0.01   0.11  -0.04    -0.03  -0.01  -0.01     0.00  -0.02  -0.01
    10   6    -0.03  -0.03  -0.04     0.13   0.04   0.04    -0.01   0.01  -0.01
    11   6     0.00  -0.02   0.01     0.08   0.13  -0.04    -0.13   0.03  -0.08
    12   6    -0.00   0.01  -0.02     0.11   0.07   0.06    -0.10  -0.04   0.03
    13   8    -0.01   0.02  -0.02    -0.02  -0.06   0.05     0.04  -0.03   0.08
    14   8    -0.04   0.05   0.00     0.06  -0.10  -0.01     0.06  -0.09  -0.03
    15   1     0.01  -0.01   0.01    -0.08   0.12  -0.07     0.05  -0.25   0.08
    16   1    -0.01   0.05  -0.03    -0.09  -0.06   0.03     0.15  -0.24   0.14
    17   1     0.04  -0.11   0.04    -0.13  -0.13   0.06     0.08  -0.25   0.15
    18   1    -0.04   0.15  -0.06    -0.15   0.15  -0.11    -0.01  -0.25   0.08
    19   1     0.09  -0.48   0.02    -0.07  -0.10   0.03     0.19  -0.06   0.03
    20   1     0.12   0.00  -0.32    -0.06  -0.06  -0.01     0.22   0.04  -0.03
    21   1    -0.01  -0.01   0.20     0.17  -0.03   0.04     0.00  -0.04   0.07
    22   1     0.04   0.42  -0.04    -0.08  -0.04  -0.03    -0.00   0.07  -0.01
    23   1     0.03  -0.04  -0.21    -0.12  -0.14  -0.05     0.01  -0.07  -0.07
    24   1     0.03   0.07  -0.20    -0.10   0.16   0.01     0.00  -0.01  -0.04
    25   1    -0.25  -0.15  -0.14     0.20   0.07   0.07    -0.11  -0.00  -0.06
    26   1     0.10   0.02  -0.16     0.07   0.04   0.06    -0.05   0.04  -0.08
    27   1     0.08   0.00  -0.13     0.11   0.06   0.08     0.09   0.10  -0.04
    28   1     0.01  -0.03   0.01     0.03   0.24  -0.06    -0.12   0.06  -0.09
    29   6     0.02  -0.03   0.01     0.06   0.18  -0.11    -0.00   0.09  -0.05
    30   1    -0.05   0.02   0.07    -0.27  -0.26  -0.21     0.40   0.19  -0.20
    31   1     0.04  -0.01  -0.01     0.07   0.18  -0.08     0.03   0.11  -0.02
    32   1     0.03  -0.04   0.01     0.04   0.20  -0.12     0.06   0.19  -0.10
    33   1     0.03  -0.06   0.02     0.06   0.17  -0.12     0.02   0.03   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    590.5269               617.6282               641.8112
 Red. masses --      2.0771                 1.7256                 3.4231
 Frc consts  --      0.4268                 0.3878                 0.8308
 IR Inten    --     47.1145                64.6213                21.7729
 RamAct Fr= 1--      1.1645                 0.7775                 3.2307
  Dep-P Fr= 1--      0.2139                 0.7496                 0.6419
  Dep-U Fr= 1--      0.3524                 0.8569                 0.7819
 Alpha2 Fr= 1--      0.0152                 0.0000                 0.0063
 Beta2  Fr= 1--      0.0684                 0.1110                 0.4210
 AlphaG Fr= 1--      0.0099                 0.0006                -0.0338
 Gamma2 Fr= 1--     -0.3212                -1.0560                -0.1523
 Delta2 Fr= 1--      0.2070                -0.5712                 0.1673
 Raman1 Fr= 1--       4.658                  3.110                 12.923
 ROA1   Fr= 1--     -24.209               -119.652                 -9.272
 CID1   Fr= 1--      -5.197                -38.472                 -0.717
 Raman2 Fr= 1--       0.821                  1.333                  5.052
 ROA2   Fr= 1--      -9.364                -20.774                 -4.995
 CID2   Fr= 1--     -11.408                -15.590                 -0.989
 Raman3 Fr= 1--       1.642                  2.665                 10.104
 ROA3   Fr= 1--     -24.209               -119.652                 -9.272
 CID3   Fr= 1--     -14.747                -44.897                 -0.918
 RC180  Fr= 1--      -0.295                  0.714                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.03    -0.01   0.03   0.03    -0.08  -0.07  -0.07
     2   6     0.08  -0.12   0.05    -0.08   0.02  -0.02     0.01   0.00  -0.06
     3   6     0.01   0.00   0.00     0.01   0.00   0.05    -0.12   0.02   0.10
     4   6     0.02  -0.14   0.07     0.06   0.07  -0.02    -0.02   0.03   0.05
     5   6     0.03   0.02   0.05     0.03  -0.03  -0.04     0.07   0.08   0.10
     6   6     0.02   0.04   0.00     0.01  -0.00  -0.06     0.08  -0.02  -0.06
     7   6     0.02   0.01  -0.01    -0.08  -0.05   0.02     0.02   0.00  -0.02
     8   6    -0.02   0.02  -0.02     0.02   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.01   0.01    -0.00   0.00  -0.00
    11   6    -0.07  -0.01  -0.09     0.09  -0.01   0.00     0.03  -0.12  -0.15
    12   6    -0.08  -0.03   0.03    -0.03  -0.06  -0.00     0.02  -0.11   0.01
    13   8    -0.02   0.02   0.04    -0.03   0.04  -0.04    -0.05   0.14  -0.09
    14   8    -0.00  -0.05   0.00    -0.06  -0.02   0.05     0.06  -0.02   0.17
    15   1    -0.07   0.30  -0.14     0.08  -0.06   0.03    -0.01  -0.12  -0.08
    16   1    -0.02   0.28  -0.08    -0.01  -0.13   0.07    -0.04   0.04   0.14
    17   1    -0.03   0.27  -0.07     0.01  -0.15   0.04     0.03   0.04   0.15
    18   1    -0.09   0.30  -0.12     0.09  -0.06   0.00     0.03  -0.11  -0.08
    19   1     0.01   0.06  -0.01    -0.10  -0.06   0.01     0.04  -0.03  -0.01
    20   1    -0.05  -0.00   0.04    -0.08  -0.03  -0.02     0.03   0.01  -0.04
    21   1    -0.06   0.03  -0.03     0.06  -0.01   0.02    -0.01   0.00  -0.00
    22   1     0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    23   1     0.02   0.06   0.03    -0.02  -0.03  -0.01     0.00  -0.01  -0.01
    24   1     0.01  -0.02   0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
    25   1    -0.04  -0.01  -0.01     0.09   0.01   0.03    -0.01   0.00  -0.01
    26   1    -0.03  -0.02  -0.00     0.05  -0.00   0.03    -0.01   0.00  -0.01
    27   1    -0.05  -0.03  -0.01     0.00  -0.02   0.03     0.01   0.01  -0.00
    28   1    -0.05   0.06  -0.12     0.13  -0.03  -0.00     0.07  -0.05  -0.18
    29   6     0.02   0.07  -0.06     0.00   0.01  -0.00     0.01   0.04  -0.05
    30   1     0.51   0.31  -0.05     0.72   0.44   0.23    -0.42  -0.40   0.36
    31   1     0.07   0.10   0.02    -0.08  -0.07   0.06    -0.05  -0.07   0.20
    32   1     0.10   0.25  -0.14    -0.06   0.00   0.01     0.04   0.32  -0.15
    33   1     0.04   0.01   0.11    -0.04   0.13  -0.08    -0.02   0.13   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4485               715.1362               762.7542
 Red. masses --      5.2377                 3.3623                 3.7028
 Frc consts  --      1.3665                 1.0131                 1.2693
 IR Inten    --      6.7686                31.7334                 5.1818
 RamAct Fr= 1--      4.5656                 1.6263                12.9055
  Dep-P Fr= 1--      0.5621                 0.1251                 0.0382
  Dep-U Fr= 1--      0.7197                 0.2224                 0.0735
 Alpha2 Fr= 1--      0.0163                 0.0268                 0.2622
 Beta2  Fr= 1--      0.5476                 0.0603                 0.1582
 AlphaG Fr= 1--     -0.0147                 0.0246                 0.1297
 Gamma2 Fr= 1--     -0.1063                 1.0067                -0.0785
 Delta2 Fr= 1--     -0.3816                 0.0679                -0.3774
 Raman1 Fr= 1--      18.262                  6.505                 51.622
 ROA1   Fr= 1--     -22.416                 98.813                -19.610
 CID1   Fr= 1--      -1.227                 15.190                 -0.380
 Raman2 Fr= 1--       6.572                  0.724                  1.898
 ROA2   Fr= 1--       0.501                 23.617                  1.136
 CID2   Fr= 1--       0.076                 32.641                  0.599
 Raman3 Fr= 1--      13.143                  1.447                  3.796
 ROA3   Fr= 1--     -22.416                 98.813                -19.610
 CID3   Fr= 1--      -1.705                 68.286                 -5.165
 RC180  Fr= 1--       0.439                 -0.555                 -0.853
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.13    -0.07  -0.13  -0.03    -0.07   0.07  -0.11
     2   6    -0.01  -0.04  -0.07     0.04   0.08  -0.03     0.13  -0.18   0.08
     3   6    -0.20  -0.01   0.14    -0.12   0.02  -0.06     0.00  -0.14  -0.02
     4   6     0.01   0.04   0.07    -0.02  -0.10   0.04    -0.11   0.18  -0.08
     5   6     0.21   0.10   0.11    -0.09   0.05   0.02     0.01  -0.08   0.10
     6   6     0.23   0.01  -0.17    -0.05  -0.07   0.08    -0.05   0.14   0.03
     7   6    -0.02  -0.03  -0.01     0.14   0.11  -0.04     0.09  -0.04   0.00
     8   6    -0.00   0.01  -0.02     0.00  -0.02   0.04     0.00   0.02  -0.06
     9   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.07   0.01
    10   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.08  -0.03  -0.02
    11   6    -0.02   0.08   0.11     0.11   0.05   0.07     0.04   0.05   0.07
    12   6    -0.02   0.12   0.01     0.20   0.06  -0.01     0.08  -0.02  -0.03
    13   8     0.04  -0.10   0.10    -0.05  -0.03  -0.08     0.00  -0.01  -0.07
    14   8    -0.03   0.02  -0.14    -0.08  -0.04   0.04    -0.01  -0.02   0.05
    15   1    -0.11  -0.09  -0.18    -0.18  -0.14   0.03    -0.22   0.22  -0.12
    16   1    -0.15  -0.01   0.17    -0.16   0.15  -0.11     0.11  -0.34   0.10
    17   1     0.13   0.09   0.15    -0.14   0.21  -0.05     0.15  -0.32   0.16
    18   1     0.19   0.00  -0.19    -0.14  -0.12   0.03    -0.17   0.24  -0.06
    19   1    -0.05  -0.13  -0.03     0.19   0.04  -0.02     0.06   0.09  -0.00
    20   1     0.01   0.01  -0.12     0.22   0.11  -0.05    -0.02  -0.08   0.13
    21   1     0.01   0.01  -0.01    -0.07   0.00   0.01    -0.04   0.04  -0.07
    22   1    -0.00  -0.02  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.01
    23   1    -0.01   0.01   0.01     0.02  -0.03  -0.03    -0.00   0.12   0.06
    24   1    -0.00   0.00   0.00     0.01  -0.06  -0.02    -0.00   0.07   0.05
    25   1     0.04   0.01   0.01    -0.13  -0.00  -0.05    -0.03  -0.01   0.00
    26   1     0.01  -0.00   0.02    -0.06   0.02  -0.06    -0.10  -0.04   0.01
    27   1    -0.02  -0.02   0.01     0.10   0.08  -0.04    -0.11  -0.05   0.00
    28   1    -0.04   0.03   0.13     0.05   0.06   0.08     0.00  -0.01   0.10
    29   6    -0.01  -0.05   0.07     0.03   0.03  -0.01     0.01   0.02   0.01
    30   1     0.14   0.22  -0.38     0.46   0.25   0.26     0.09  -0.02   0.23
    31   1     0.03   0.02  -0.13    -0.01   0.02  -0.08    -0.05   0.01  -0.11
    32   1    -0.03  -0.28   0.15    -0.04  -0.11   0.06    -0.08  -0.18   0.10
    33   1     0.01  -0.12  -0.04     0.01   0.09  -0.17    -0.01   0.09  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.3050               827.4627               838.5757
 Red. masses --      2.3871                 3.2115                 2.7485
 Frc consts  --      0.8963                 1.2956                 1.1388
 IR Inten    --     17.1934                 9.4053                 0.7559
 RamAct Fr= 1--      7.3935                 6.9414                22.3334
  Dep-P Fr= 1--      0.0727                 0.1765                 0.0401
  Dep-U Fr= 1--      0.1355                 0.3001                 0.0772
 Alpha2 Fr= 1--      0.1383                 0.1003                 0.4516
 Beta2  Fr= 1--      0.1669                 0.3471                 0.2873
 AlphaG Fr= 1--      0.0769                 0.0143                 0.1084
 Gamma2 Fr= 1--      2.0387                -1.6845                 1.0677
 Delta2 Fr= 1--      1.3261                -0.9305                 0.1699
 Raman1 Fr= 1--      29.574                 27.766                 89.333
 ROA1   Fr= 1--     238.151               -191.485                107.932
 CID1   Fr= 1--       8.053                 -6.896                  1.208
 Raman2 Fr= 1--       2.003                  4.166                  3.448
 ROA2   Fr= 1--      38.319                -32.983                 24.265
 CID2   Fr= 1--      19.130                 -7.918                  7.038
 Raman3 Fr= 1--       4.006                  8.331                  6.896
 ROA3   Fr= 1--     238.151               -191.485                107.932
 CID3   Fr= 1--      59.446                -22.984                 15.652
 RC180  Fr= 1--      -0.729                 -0.400                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.04     0.05   0.02  -0.01    -0.03   0.03   0.07
     2   6     0.00   0.02  -0.01    -0.00  -0.06   0.01     0.02  -0.08   0.03
     3   6     0.02   0.05  -0.05     0.06  -0.01   0.00    -0.05   0.00   0.09
     4   6    -0.02  -0.08   0.03    -0.06   0.08  -0.04     0.03   0.06  -0.03
     5   6     0.00   0.09   0.03     0.04   0.00   0.05    -0.05  -0.02  -0.06
     6   6    -0.00   0.05   0.03     0.03   0.02   0.01    -0.06   0.01  -0.05
     7   6    -0.03  -0.14   0.05    -0.14   0.10  -0.04     0.12   0.06  -0.06
     8   6     0.01   0.01  -0.08    -0.05   0.02   0.10     0.01  -0.01   0.02
     9   6     0.01   0.10   0.02    -0.02  -0.17  -0.04     0.00  -0.00   0.01
    10   6    -0.05  -0.02  -0.03     0.11   0.05   0.04    -0.02  -0.02   0.01
    11   6    -0.05  -0.05  -0.06    -0.10  -0.02  -0.06     0.11  -0.10  -0.12
    12   6     0.15   0.11   0.03     0.20   0.10   0.01     0.02   0.10   0.06
    13   8    -0.05  -0.02  -0.00    -0.04  -0.03  -0.04    -0.04   0.01   0.10
    14   8    -0.04  -0.02  -0.01    -0.03  -0.04   0.02    -0.03   0.04  -0.08
    15   1     0.14  -0.34   0.11     0.05   0.17  -0.10    -0.04   0.15   0.01
    16   1     0.17  -0.15   0.09     0.14  -0.01   0.05    -0.12  -0.09   0.07
    17   1     0.15  -0.23   0.14     0.09  -0.01   0.03    -0.05  -0.32   0.10
    18   1     0.10  -0.38   0.19    -0.03   0.19  -0.06    -0.03  -0.08  -0.01
    19   1    -0.04   0.01   0.05    -0.16  -0.07  -0.05     0.16   0.19  -0.04
    20   1    -0.06  -0.18   0.16    -0.22   0.18  -0.22     0.06   0.01   0.08
    21   1     0.10  -0.01  -0.04    -0.09   0.02   0.08    -0.12   0.05  -0.03
    22   1    -0.01  -0.01   0.02     0.03  -0.01  -0.02    -0.01   0.05   0.00
    23   1    -0.03   0.13   0.08     0.04  -0.18  -0.11     0.01  -0.03  -0.03
    24   1    -0.02   0.16   0.09     0.03  -0.29  -0.15    -0.00   0.01  -0.01
    25   1     0.13   0.02   0.05    -0.06  -0.03  -0.04    -0.16  -0.02  -0.05
    26   1    -0.06  -0.06   0.07     0.25   0.09  -0.05    -0.06   0.01  -0.06
    27   1    -0.21  -0.11   0.06     0.21   0.06  -0.06     0.12   0.07  -0.05
    28   1    -0.12   0.09  -0.09    -0.22   0.13  -0.09     0.10   0.03  -0.17
    29   6    -0.02  -0.03   0.00    -0.04  -0.06   0.03     0.02  -0.10   0.02
    30   1     0.12   0.08  -0.02     0.11   0.03   0.09    -0.00   0.13  -0.30
    31   1     0.06   0.01   0.08     0.07   0.02   0.06    -0.11  -0.30   0.42
    32   1     0.07   0.15  -0.09     0.08   0.11  -0.06    -0.03   0.24  -0.09
    33   1     0.02  -0.12   0.19     0.01  -0.20   0.24    -0.05   0.11   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.5216               855.2642               875.2763
 Red. masses --      1.3363                 2.8232                 1.9520
 Frc consts  --      0.5736                 1.2167                 0.8811
 IR Inten    --      0.7533                 3.2762                16.2860
 RamAct Fr= 1--      1.1114                10.0236                 2.1861
  Dep-P Fr= 1--      0.2265                 0.2286                 0.1745
  Dep-U Fr= 1--      0.3693                 0.3722                 0.2971
 Alpha2 Fr= 1--      0.0141                 0.1260                 0.0317
 Beta2  Fr= 1--      0.0684                 0.6218                 0.1083
 AlphaG Fr= 1--     -0.0228                -0.0990                 0.0192
 Gamma2 Fr= 1--     -0.3515                -0.2751                 1.5794
 Delta2 Fr= 1--     -0.4161                -0.7475                 1.4721
 Raman1 Fr= 1--       4.446                 40.095                  8.744
 ROA1   Fr= 1--     -47.058                -50.326                198.733
 CID1   Fr= 1--     -10.585                 -1.255                 22.727
 Raman2 Fr= 1--       0.821                  7.461                  1.299
 ROA2   Fr= 1--      -5.107                 -0.622                 26.129
 CID2   Fr= 1--      -6.221                 -0.083                 20.113
 Raman3 Fr= 1--       1.642                 14.922                  2.598
 ROA3   Fr= 1--     -47.058                -50.326                198.733
 CID3   Fr= 1--     -28.658                 -3.373                 76.487
 RC180  Fr= 1--      -0.261                 -0.256                 -0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07  -0.01    -0.03  -0.00  -0.15     0.03  -0.10  -0.02
     2   6    -0.01   0.01  -0.00     0.04  -0.03   0.02    -0.03   0.11  -0.04
     3   6    -0.02   0.06   0.00     0.02   0.01  -0.15     0.05  -0.08  -0.02
     4   6    -0.00   0.03  -0.01    -0.01  -0.05   0.02    -0.04   0.09  -0.04
     5   6     0.02  -0.09   0.02     0.00   0.06   0.11     0.02  -0.02   0.07
     6   6     0.02  -0.08   0.01    -0.04   0.04   0.12    -0.01  -0.03   0.06
     7   6     0.02  -0.01   0.01    -0.09   0.02   0.01    -0.05  -0.05   0.06
     8   6     0.01  -0.01  -0.02    -0.04   0.03   0.03     0.02  -0.02  -0.03
     9   6     0.00   0.03   0.01    -0.02  -0.08  -0.03     0.01   0.05   0.01
    10   6    -0.02  -0.01  -0.01     0.05   0.04   0.01    -0.01  -0.01  -0.03
    11   6    -0.01  -0.01  -0.03     0.16  -0.05  -0.01     0.06  -0.02  -0.05
    12   6     0.03   0.02   0.01    -0.10  -0.01   0.03     0.03   0.03   0.02
    13   8    -0.01  -0.00   0.00     0.00   0.03   0.07    -0.02   0.00   0.02
    14   8    -0.01  -0.00  -0.00    -0.00   0.05  -0.05    -0.01   0.01  -0.02
    15   1     0.14  -0.36   0.17    -0.01  -0.41   0.07    -0.16   0.43  -0.24
    16   1     0.09  -0.35   0.17     0.23  -0.32   0.05    -0.05   0.43  -0.21
    17   1    -0.19   0.49  -0.21     0.10   0.03   0.08    -0.05   0.28  -0.06
    18   1    -0.14   0.47  -0.21    -0.13  -0.01   0.08    -0.13   0.20  -0.06
    19   1     0.03  -0.02   0.01    -0.14  -0.10  -0.00    -0.05  -0.16   0.05
    20   1     0.06  -0.01   0.01    -0.16   0.08  -0.13     0.07  -0.04  -0.02
    21   1     0.04  -0.02  -0.00    -0.01   0.00   0.04     0.15  -0.07   0.02
    22   1    -0.01  -0.00   0.00     0.03  -0.04  -0.01    -0.01  -0.03   0.00
    23   1    -0.01   0.03   0.02     0.02  -0.04  -0.02    -0.02   0.06   0.05
    24   1    -0.00   0.05   0.02     0.02  -0.17  -0.07    -0.01   0.10   0.06
    25   1     0.02   0.01   0.01     0.02  -0.02  -0.00     0.16   0.04   0.05
    26   1    -0.06  -0.02   0.01     0.16   0.04  -0.00    -0.06  -0.04   0.07
    27   1    -0.03  -0.01   0.01     0.03  -0.01  -0.01    -0.14  -0.05   0.06
    28   1    -0.02   0.02  -0.03     0.25  -0.10  -0.01     0.06   0.03  -0.06
    29   6    -0.01  -0.02   0.01     0.06   0.01  -0.02     0.02  -0.06   0.02
    30   1     0.01   0.01  -0.01    -0.05   0.06  -0.19     0.01   0.04  -0.08
    31   1    -0.00  -0.03   0.06    -0.13  -0.19   0.17    -0.08  -0.18   0.21
    32   1     0.00   0.04  -0.01    -0.10   0.04   0.00    -0.05   0.07  -0.01
    33   1    -0.01  -0.02   0.06    -0.03   0.28  -0.20    -0.04   0.10  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.5048               936.6433               953.8744
 Red. masses --      1.5127                 1.1976                 1.6482
 Frc consts  --      0.7179                 0.6190                 0.8836
 IR Inten    --      1.9102                 1.8660                 0.3741
 RamAct Fr= 1--      2.2727                 1.1766                 5.1304
  Dep-P Fr= 1--      0.7345                 0.5886                 0.7036
  Dep-U Fr= 1--      0.8469                 0.7410                 0.8260
 Alpha2 Fr= 1--      0.0006                 0.0035                 0.0041
 Beta2  Fr= 1--      0.3208                 0.1453                 0.7063
 AlphaG Fr= 1--     -0.0037                -0.0195                -0.0010
 Gamma2 Fr= 1--      0.8533                 0.3548                 1.5291
 Delta2 Fr= 1--      0.2476                 0.7032                -0.3385
 Raman1 Fr= 1--       9.091                  4.706                 20.522
 ROA1   Fr= 1--      89.842                 56.560                135.956
 CID1   Fr= 1--       9.883                 12.017                  6.625
 Raman2 Fr= 1--       3.850                  1.744                  8.475
 ROA2   Fr= 1--      18.499                  2.889                 39.406
 CID2   Fr= 1--       4.805                  1.657                  4.649
 Raman3 Fr= 1--       7.699                  3.487                 16.951
 ROA3   Fr= 1--      89.842                 56.560                135.956
 CID3   Fr= 1--      11.669                 16.218                  8.021
 RC180  Fr= 1--       0.694                  0.482                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.02
     2   6    -0.02   0.03  -0.03     0.01  -0.01   0.00     0.02   0.00  -0.00
     3   6    -0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.01  -0.01   0.02
     4   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.02  -0.01
     5   6     0.04   0.01   0.04    -0.01   0.00  -0.01     0.02  -0.10   0.02
     6   6     0.01   0.01   0.05     0.00  -0.00  -0.01    -0.03   0.08  -0.03
     7   6    -0.03  -0.09  -0.14     0.02   0.00   0.01     0.07  -0.08   0.03
     8   6     0.00  -0.04   0.02    -0.04  -0.01  -0.01    -0.09   0.06  -0.02
     9   6     0.01   0.02   0.06    -0.07  -0.01   0.04    -0.04  -0.04  -0.04
    10   6     0.03   0.00   0.02     0.05  -0.02  -0.06     0.04   0.08   0.00
    11   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.03
    16   1    -0.03   0.02  -0.04    -0.01  -0.01   0.01    -0.06   0.05  -0.02
    17   1     0.06   0.15  -0.05    -0.00  -0.05   0.01    -0.17   0.48  -0.21
    18   1     0.00   0.05   0.04    -0.01   0.02  -0.02     0.14  -0.47   0.19
    19   1    -0.02   0.50  -0.12     0.03  -0.02   0.02     0.16   0.02   0.06
    20   1    -0.17  -0.28   0.40     0.05  -0.00   0.02     0.04  -0.11   0.12
    21   1    -0.20   0.22  -0.05     0.18   0.29   0.08    -0.14   0.04  -0.04
    22   1    -0.06   0.35   0.02     0.15   0.41   0.10     0.06  -0.09  -0.00
    23   1     0.00  -0.25  -0.21     0.16   0.10  -0.09     0.04   0.14   0.06
    24   1    -0.03   0.12  -0.10     0.09  -0.40  -0.27     0.04  -0.23  -0.05
    25   1    -0.10  -0.02  -0.04     0.38   0.24   0.10     0.04  -0.08  -0.00
    26   1     0.05   0.03  -0.04    -0.32  -0.09   0.13     0.37   0.08   0.01
    27   1     0.14   0.04  -0.05    -0.05   0.08   0.15    -0.11  -0.13  -0.04
    28   1    -0.01  -0.02   0.01     0.00   0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.03   0.03
    32   1    -0.02  -0.03   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.01
    33   1    -0.00   0.02  -0.03     0.00  -0.00   0.00    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.2554               972.1447               977.0186
 Red. masses --      1.5792                 1.4898                 1.3832
 Frc consts  --      0.8615                 0.8295                 0.7779
 IR Inten    --      0.2341                 0.0678                 0.2151
 RamAct Fr= 1--      2.2474                 2.7019                 0.4242
  Dep-P Fr= 1--      0.6912                 0.6468                 0.7076
  Dep-U Fr= 1--      0.8174                 0.7855                 0.8288
 Alpha2 Fr= 1--      0.0023                 0.0050                 0.0003
 Beta2  Fr= 1--      0.3062                 0.3537                 0.0586
 AlphaG Fr= 1--     -0.0360                -0.0043                -0.0003
 Gamma2 Fr= 1--      0.1514                 0.3152                 0.5182
 Delta2 Fr= 1--     -0.0986                 0.3032                -0.0257
 Raman1 Fr= 1--       8.989                 10.808                  1.697
 ROA1   Fr= 1--      11.379                 39.963                 48.927
 CID1   Fr= 1--       1.266                  3.698                 28.832
 Raman2 Fr= 1--       3.674                  4.245                  0.703
 ROA2   Fr= 1--       4.423                  5.139                 12.643
 CID2   Fr= 1--       1.204                  1.211                 17.979
 Raman3 Fr= 1--       7.348                  8.490                  1.406
 ROA3   Fr= 1--      11.379                 39.963                 48.927
 CID3   Fr= 1--       1.549                  4.707                 34.788
 RC180  Fr= 1--       0.635                  0.571                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00   0.01  -0.01    -0.03   0.10  -0.05
     2   6     0.00   0.03  -0.02    -0.01   0.00  -0.00     0.01  -0.02   0.01
     3   6    -0.01  -0.03   0.03     0.01  -0.02  -0.00     0.03  -0.11   0.04
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02  -0.01
     5   6    -0.03   0.07  -0.04     0.01   0.01   0.01     0.00  -0.01   0.00
     6   6     0.03  -0.09   0.04     0.00  -0.01   0.01    -0.01   0.01   0.00
     7   6     0.05  -0.09   0.02    -0.01  -0.02  -0.01    -0.01   0.03  -0.01
     8   6    -0.08   0.05  -0.02    -0.06  -0.08  -0.03     0.03   0.01   0.01
     9   6    -0.03  -0.03  -0.03    -0.06   0.11  -0.03     0.01  -0.01   0.01
    10   6     0.03   0.09   0.00     0.11  -0.04   0.05    -0.02  -0.02  -0.00
    11   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.02  -0.10   0.07     0.03  -0.08   0.03     0.18  -0.58   0.24
    16   1    -0.08   0.15  -0.06    -0.02   0.09  -0.05    -0.20   0.62  -0.28
    17   1     0.13  -0.42   0.15     0.03  -0.02   0.01    -0.01   0.05  -0.02
    18   1    -0.16   0.51  -0.21    -0.01   0.05  -0.01     0.02  -0.07   0.04
    19   1     0.16   0.03   0.06    -0.03   0.00  -0.01    -0.04   0.01  -0.02
    20   1     0.07  -0.14   0.16    -0.02  -0.04   0.03    -0.04   0.05  -0.05
    21   1    -0.12   0.04  -0.04    -0.21  -0.24  -0.09     0.05   0.04   0.02
    22   1     0.02  -0.07  -0.01     0.11  -0.13   0.05    -0.02   0.04  -0.00
    23   1     0.01   0.07   0.04     0.06   0.49   0.26    -0.01  -0.08  -0.05
    24   1     0.01  -0.13  -0.03     0.06  -0.19   0.09    -0.01   0.04  -0.01
    25   1     0.05  -0.10   0.00    -0.17   0.08  -0.07    -0.01   0.01   0.00
    26   1     0.39   0.07   0.02    -0.16   0.05  -0.14    -0.07  -0.02   0.01
    27   1    -0.17  -0.16  -0.04     0.51   0.28  -0.05    -0.01   0.01   0.01
    28   1    -0.01  -0.01   0.01     0.00   0.01  -0.00     0.01   0.07  -0.03
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.03   0.05
    32   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00   0.02  -0.00
    33   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2594              1046.1014              1084.3046
 Red. masses --      1.9160                 2.8189                 2.1112
 Frc consts  --      1.1613                 1.8175                 1.4625
 IR Inten    --      2.1426                 4.4598                57.3510
 RamAct Fr= 1--     10.4613                 0.0160                 2.7308
  Dep-P Fr= 1--      0.2592                 0.6816                 0.6439
  Dep-U Fr= 1--      0.4117                 0.8107                 0.7834
 Alpha2 Fr= 1--      0.1208                 0.0000                 0.0052
 Beta2  Fr= 1--      0.7178                 0.0022                 0.3565
 AlphaG Fr= 1--      0.0441                 0.0001                 0.0237
 Gamma2 Fr= 1--     -0.3086                -0.0694                -1.1316
 Delta2 Fr= 1--     -1.4339                 0.0930                 0.3605
 Raman1 Fr= 1--      41.845                  0.064                 10.923
 ROA1   Fr= 1--     -75.516                 -3.685                -97.097
 CID1   Fr= 1--      -1.805                -57.476                 -8.889
 Raman2 Fr= 1--       8.613                  0.026                  4.278
 ROA2   Fr= 1--       4.064                 -2.409                -30.042
 CID2   Fr= 1--       0.472                -92.708                 -7.022
 Raman3 Fr= 1--      17.227                  0.052                  8.557
 ROA3   Fr= 1--     -75.516                 -3.685                -97.097
 CID3   Fr= 1--      -4.384                -70.898                -11.347
 RC180  Fr= 1--      -0.177                  0.621                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05    -0.01  -0.08  -0.18    -0.01  -0.01  -0.02
     2   6    -0.00   0.01   0.02     0.03   0.01  -0.00     0.01   0.01   0.04
     3   6    -0.01   0.01  -0.05    -0.04   0.07   0.19     0.02  -0.00  -0.00
     4   6     0.07   0.01   0.03     0.04   0.01  -0.01    -0.05   0.01   0.03
     5   6    -0.00   0.00  -0.02    -0.01  -0.08  -0.17    -0.02  -0.03  -0.04
     6   6    -0.03   0.00   0.04    -0.05   0.06   0.19     0.05   0.00  -0.04
     7   6     0.01  -0.01   0.00    -0.01  -0.00   0.00    -0.00   0.00   0.03
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.04
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    10   6     0.00   0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.02
    11   6     0.04   0.18  -0.00    -0.01  -0.02  -0.01    -0.05  -0.05   0.19
    12   6    -0.06  -0.05  -0.03     0.01   0.00   0.01     0.04  -0.07   0.04
    13   8     0.03  -0.00  -0.03    -0.00   0.00   0.01     0.01  -0.01  -0.00
    14   8     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.04  -0.09
    15   1    -0.13   0.01  -0.04     0.30  -0.05  -0.36    -0.06  -0.02   0.01
    16   1     0.02  -0.16   0.00     0.21   0.20   0.33     0.16   0.10   0.07
    17   1    -0.00  -0.06   0.02     0.28  -0.04  -0.34    -0.09  -0.01  -0.02
    18   1    -0.01   0.03   0.04     0.20   0.20   0.33     0.19   0.06   0.03
    19   1    -0.03   0.01  -0.01    -0.06   0.00  -0.01    -0.20  -0.03  -0.04
    20   1     0.05  -0.02   0.03    -0.03  -0.00  -0.00     0.19  -0.02   0.02
    21   1    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.12   0.06  -0.07
    22   1    -0.00   0.02   0.00    -0.00   0.01   0.00    -0.02   0.10   0.01
    23   1     0.00  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.07  -0.05
    24   1     0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.01   0.04  -0.03
    25   1    -0.01  -0.01  -0.00    -0.01   0.00  -0.00    -0.05  -0.02  -0.02
    26   1     0.03   0.01  -0.01    -0.00   0.00  -0.00     0.05   0.02  -0.03
    27   1     0.00  -0.01  -0.01     0.01   0.01  -0.00     0.05   0.00  -0.03
    28   1     0.24   0.56  -0.20    -0.07  -0.10   0.03    -0.16   0.29   0.09
    29   6    -0.08  -0.12   0.04    -0.00   0.02   0.01     0.05  -0.01  -0.13
    30   1     0.02  -0.03   0.07    -0.00   0.00  -0.01    -0.01  -0.07   0.29
    31   1     0.11  -0.02   0.22     0.00   0.04  -0.07    -0.03  -0.16   0.31
    32   1     0.13   0.22  -0.12     0.00  -0.06   0.03    -0.03   0.44  -0.27
    33   1    -0.02  -0.28   0.47     0.01  -0.02  -0.04    -0.04   0.27   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.0867              1106.5628              1138.8393
 Red. masses --      1.5807                 1.8056                 2.1587
 Frc consts  --      1.1210                 1.3026                 1.6496
 IR Inten    --      3.6718                52.0604                 6.6869
 RamAct Fr= 1--      1.7962                 3.9695                14.8231
  Dep-P Fr= 1--      0.1406                 0.3802                 0.4434
  Dep-U Fr= 1--      0.2465                 0.5510                 0.6144
 Alpha2 Fr= 1--      0.0284                 0.0315                 0.0933
 Beta2  Fr= 1--      0.0738                 0.3645                 1.5179
 AlphaG Fr= 1--     -0.0087                 0.0330                 0.1122
 Gamma2 Fr= 1--     -0.9637                 1.2304                -1.1855
 Delta2 Fr= 1--      0.0248                 1.2517                -0.7630
 Raman1 Fr= 1--       7.185                 15.878                 59.293
 ROA1   Fr= 1--     -91.723                158.170               -138.226
 CID1   Fr= 1--     -12.766                  9.962                 -2.331
 Raman2 Fr= 1--       0.886                  4.374                 18.215
 ROA2   Fr= 1--     -23.327                 19.516                -22.348
 CID2   Fr= 1--     -26.341                  4.462                 -1.227
 Raman3 Fr= 1--       1.771                  8.748                 36.429
 ROA3   Fr= 1--     -91.723                158.170               -138.226
 CID3   Fr= 1--     -51.786                 18.080                 -3.794
 RC180  Fr= 1--      -0.507                  0.102                  0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.04     0.01  -0.00  -0.03    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.05     0.01   0.00   0.05    -0.04   0.05  -0.00
     3   6    -0.03   0.02   0.03     0.02   0.01  -0.00     0.03   0.00  -0.01
     4   6    -0.03  -0.06  -0.02    -0.03  -0.04   0.03    -0.01   0.00   0.02
     5   6     0.01   0.02   0.01    -0.03  -0.01  -0.02    -0.02  -0.01  -0.01
     6   6     0.00   0.01   0.02     0.02  -0.01  -0.05     0.03  -0.01  -0.01
     7   6    -0.01  -0.01  -0.05    -0.00   0.02   0.07     0.03  -0.09   0.04
     8   6     0.02   0.02   0.05    -0.03  -0.03  -0.08     0.14   0.19  -0.02
     9   6    -0.01  -0.00  -0.04     0.01   0.00   0.06    -0.05  -0.07  -0.06
    10   6    -0.01  -0.01  -0.02     0.02   0.02   0.03    -0.07  -0.08   0.08
    11   6    -0.06   0.10  -0.01    -0.04   0.08  -0.10    -0.01  -0.00  -0.00
    12   6    -0.02  -0.02  -0.02    -0.03   0.05  -0.04    -0.01   0.02  -0.01
    13   8     0.02  -0.01  -0.03     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.01  -0.01   0.01     0.02  -0.03   0.07     0.00  -0.01   0.02
    15   1     0.13   0.04  -0.02     0.01  -0.02  -0.02    -0.14   0.02   0.03
    16   1    -0.07  -0.06   0.03     0.18   0.06   0.09     0.16   0.08   0.05
    17   1     0.18  -0.02  -0.06    -0.15  -0.06   0.07    -0.14  -0.02   0.06
    18   1    -0.03  -0.00   0.00     0.07  -0.01  -0.02     0.17   0.14   0.05
    19   1     0.25   0.05   0.05    -0.38  -0.10  -0.06    -0.11   0.07  -0.01
    20   1    -0.30   0.01  -0.02     0.42  -0.00   0.01    -0.22  -0.04  -0.00
    21   1     0.16  -0.08   0.10    -0.22   0.09  -0.15     0.11   0.48  -0.02
    22   1     0.03  -0.15  -0.02    -0.05   0.22   0.02     0.11  -0.13  -0.01
    23   1    -0.01   0.09   0.07     0.01  -0.14  -0.11     0.08   0.12   0.01
    24   1     0.01  -0.05   0.05    -0.02   0.08  -0.07     0.05  -0.29  -0.08
    25   1     0.07   0.03   0.02    -0.09  -0.04  -0.03    -0.41  -0.02  -0.07
    26   1    -0.08  -0.03   0.04     0.11   0.05  -0.05    -0.23   0.01  -0.14
    27   1    -0.05   0.00   0.04     0.08   0.00  -0.06     0.20   0.10  -0.05
    28   1    -0.33   0.28  -0.00    -0.11  -0.00  -0.05     0.06  -0.04  -0.00
    29   6     0.10  -0.06   0.02     0.07  -0.04   0.07     0.01  -0.00  -0.00
    30   1     0.00  -0.04   0.08    -0.00   0.02  -0.14    -0.00   0.02  -0.08
    31   1    -0.18  -0.33   0.28    -0.15  -0.21   0.08    -0.01  -0.02   0.01
    32   1    -0.22   0.02   0.07    -0.17  -0.18   0.17    -0.01   0.00   0.00
    33   1    -0.04   0.34  -0.20    -0.01   0.20  -0.23    -0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.0429              1161.6356              1193.8493
 Red. masses --      1.5753                 2.0670                 1.7728
 Frc consts  --      1.2233                 1.6434                 1.4887
 IR Inten    --     35.0019               161.4685                 9.4992
 RamAct Fr= 1--      6.5971                 1.2911                 2.6144
  Dep-P Fr= 1--      0.1329                 0.4507                 0.5920
  Dep-U Fr= 1--      0.2346                 0.6213                 0.7437
 Alpha2 Fr= 1--      0.1065                 0.0079                 0.0077
 Beta2  Fr= 1--      0.2579                 0.1337                 0.3240
 AlphaG Fr= 1--      0.0593                -0.0195                 0.0180
 Gamma2 Fr= 1--      1.0369                -1.4194                -1.5481
 Delta2 Fr= 1--      0.5221                -0.5851                 0.5091
 Raman1 Fr= 1--      26.388                  5.165                 10.457
 ROA1   Fr= 1--     116.255               -154.982               -132.324
 CID1   Fr= 1--       4.406                -30.009                -12.653
 Raman2 Fr= 1--       3.095                  1.604                  3.889
 ROA2   Fr= 1--      20.710                -29.384                -41.227
 CID2   Fr= 1--       6.691                -18.314                -10.602
 Raman3 Fr= 1--       6.191                  3.209                  7.777
 ROA3   Fr= 1--     116.255               -154.982               -132.324
 CID3   Fr= 1--      18.779                -48.298                -17.014
 RC180  Fr= 1--      -0.531                  0.243                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01   0.00     0.05   0.02   0.01     0.00   0.00  -0.00
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00   0.01
     3   6     0.04   0.01  -0.01    -0.05  -0.02   0.01    -0.00  -0.00  -0.00
     4   6    -0.04   0.00   0.03    -0.05   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.03  -0.03     0.04   0.00  -0.01    -0.00  -0.00  -0.00
     6   6     0.08   0.02  -0.01    -0.03  -0.01  -0.00     0.00  -0.00  -0.01
     7   6    -0.02   0.01  -0.07     0.00   0.00   0.02    -0.02   0.03  -0.05
     8   6    -0.03  -0.04   0.06     0.00   0.01  -0.02     0.16  -0.11  -0.00
     9   6     0.01   0.02  -0.02    -0.00  -0.00   0.01    -0.11   0.03   0.02
    10   6     0.01   0.02  -0.04    -0.00  -0.00   0.01    -0.08   0.08   0.04
    11   6     0.00  -0.01   0.02    -0.00  -0.03   0.13     0.00   0.00  -0.00
    12   6    -0.02   0.07  -0.04    -0.05   0.13  -0.09    -0.00   0.00  -0.00
    13   8     0.01  -0.01  -0.02     0.02  -0.03  -0.05     0.00  -0.00  -0.00
    14   8     0.01  -0.02   0.07     0.01  -0.04   0.13     0.00  -0.00   0.00
    15   1    -0.36  -0.05   0.18     0.30   0.04  -0.13     0.03   0.00  -0.02
    16   1     0.29   0.15   0.12    -0.24  -0.10  -0.10    -0.01  -0.01  -0.00
    17   1    -0.29  -0.05   0.09     0.33   0.05  -0.19    -0.02  -0.00   0.01
    18   1     0.42   0.19   0.17    -0.17  -0.09  -0.08    -0.01  -0.02  -0.01
    19   1     0.20   0.08   0.01    -0.04  -0.03   0.01    -0.22   0.11  -0.12
    20   1    -0.16  -0.01   0.02     0.05   0.01  -0.01     0.04   0.00  -0.00
    21   1     0.07  -0.18   0.10    -0.02   0.03  -0.02     0.35  -0.25   0.07
    22   1    -0.01  -0.10  -0.02    -0.00   0.03   0.00     0.20   0.21   0.13
    23   1    -0.04   0.05   0.06     0.01  -0.02  -0.02     0.16   0.30   0.04
    24   1    -0.00   0.05   0.08    -0.00  -0.00  -0.02     0.05  -0.33  -0.10
    25   1     0.18   0.03   0.04    -0.04  -0.01  -0.01    -0.16  -0.27  -0.01
    26   1     0.01  -0.03   0.08     0.00   0.01  -0.02     0.34   0.08   0.01
    27   1    -0.11  -0.03   0.05     0.03   0.01  -0.01    -0.20  -0.22  -0.12
    28   1     0.19  -0.10   0.00     0.29  -0.15   0.10     0.00  -0.00  -0.00
    29   6     0.01  -0.01  -0.02     0.01  -0.02  -0.09     0.00  -0.00   0.00
    30   1    -0.01   0.06  -0.23    -0.04   0.12  -0.46    -0.00   0.00  -0.00
    31   1    -0.00  -0.03   0.04     0.04  -0.06   0.18    -0.00  -0.00   0.00
    32   1     0.00   0.06  -0.04     0.03   0.27  -0.20    -0.00  -0.00   0.00
    33   1    -0.01   0.03   0.02    -0.03   0.07   0.14    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8084              1222.7581              1236.6941
 Red. masses --      1.2528                 2.1594                 2.3831
 Frc consts  --      1.0839                 1.9022                 2.1474
 IR Inten    --      2.7453                 9.8056                 1.2664
 RamAct Fr= 1--     37.3905                32.8564                28.3167
  Dep-P Fr= 1--      0.0817                 0.1536                 0.1299
  Dep-U Fr= 1--      0.1510                 0.2662                 0.2299
 Alpha2 Fr= 1--      0.6845                 0.5034                 0.4605
 Beta2  Fr= 1--      0.9410                 1.4579                 1.0849
 AlphaG Fr= 1--      0.0729                -0.0056                 0.1072
 Gamma2 Fr= 1--      1.0800                 1.4464                 1.1790
 Delta2 Fr= 1--     -0.4062                -0.0455                -0.3629
 Raman1 Fr= 1--     149.562                131.425                113.267
 ROA1   Fr= 1--      90.680                137.400                101.575
 CID1   Fr= 1--       0.606                  1.045                  0.897
 Raman2 Fr= 1--      11.292                 17.494                 13.019
 ROA2   Fr= 1--      29.170                 35.078                 31.200
 CID2   Fr= 1--       2.583                  2.005                  2.396
 Raman3 Fr= 1--      22.584                 34.989                 26.039
 ROA3   Fr= 1--      90.680                137.400                101.575
 CID3   Fr= 1--       4.015                  3.927                  3.901
 RC180  Fr= 1--      -0.698                 -0.468                 -0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04    -0.09  -0.04  -0.03     0.04   0.01  -0.01
     2   6     0.04   0.01  -0.00    -0.03  -0.02  -0.00     0.28   0.10  -0.01
     3   6     0.01   0.02   0.03     0.08   0.03   0.01    -0.07   0.00   0.06
     4   6    -0.09  -0.02   0.01     0.22   0.06  -0.03     0.04   0.01  -0.02
     5   6     0.02  -0.01  -0.04     0.06   0.02   0.01    -0.07  -0.04  -0.05
     6   6    -0.01  -0.02  -0.04    -0.08  -0.01   0.04     0.05   0.01   0.01
     7   6    -0.02  -0.01   0.00     0.02   0.01  -0.00    -0.09  -0.05   0.02
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.04
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    11   6     0.04   0.02  -0.01    -0.09  -0.04   0.03     0.01  -0.00   0.00
    12   6     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.00   0.00  -0.01    -0.00  -0.01   0.04    -0.00   0.00   0.01
    15   1    -0.35  -0.01   0.23    -0.48  -0.08   0.18    -0.18  -0.00   0.12
    16   1     0.37   0.22   0.23     0.20   0.09   0.06    -0.34  -0.14  -0.07
    17   1     0.48   0.03  -0.31    -0.01   0.02   0.06    -0.37  -0.07   0.12
    18   1    -0.32  -0.19  -0.22    -0.39  -0.18  -0.12    -0.28  -0.15  -0.19
    19   1    -0.06  -0.01  -0.01     0.03  -0.00  -0.00    -0.48   0.02  -0.11
    20   1    -0.03  -0.01   0.00     0.06  -0.00   0.02    -0.30  -0.02  -0.03
    21   1    -0.00   0.01   0.00     0.00   0.01   0.00    -0.07   0.03   0.01
    22   1     0.00  -0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.06  -0.02
    23   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.02   0.01   0.03
    24   1     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.02   0.04
    25   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04   0.03   0.00
    26   1    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.05  -0.02   0.02
    27   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.02   0.03
    28   1     0.19   0.04  -0.06    -0.49  -0.13   0.17    -0.13  -0.02   0.05
    29   6    -0.01  -0.00   0.02     0.02  -0.00  -0.04    -0.01  -0.00  -0.01
    30   1     0.01  -0.01   0.06    -0.02   0.05  -0.19    -0.01   0.02  -0.07
    31   1     0.01   0.03  -0.04    -0.04  -0.08   0.08     0.01   0.00   0.02
    32   1     0.03  -0.02   0.02    -0.06   0.08  -0.05     0.01   0.01  -0.02
    33   1     0.00  -0.02  -0.01    -0.01   0.06   0.02    -0.00  -0.02   0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.6176              1280.1017              1309.3077
 Red. masses --      1.6167                 1.7461                 1.5939
 Frc consts  --      1.4827                 1.6858                 1.6099
 IR Inten    --      3.1280                 2.3314                 4.2091
 RamAct Fr= 1--      4.9829                 5.1494                 3.9716
  Dep-P Fr= 1--      0.5000                 0.5909                 0.5049
  Dep-U Fr= 1--      0.6667                 0.7428                 0.6710
 Alpha2 Fr= 1--      0.0246                 0.0153                 0.0192
 Beta2  Fr= 1--      0.5536                 0.6375                 0.4442
 AlphaG Fr= 1--      0.0217                 0.0267                 0.0054
 Gamma2 Fr= 1--     -1.6669                 1.6392                -5.0552
 Delta2 Fr= 1--      0.0213                 1.4462                -1.8797
 Raman1 Fr= 1--      19.932                 20.597                 15.886
 ROA1   Fr= 1--    -159.343                203.645               -545.450
 CID1   Fr= 1--      -7.994                  9.887                -34.335
 Raman2 Fr= 1--       6.644                  7.650                  5.330
 ROA2   Fr= 1--     -40.176                 27.771               -106.287
 CID2   Fr= 1--      -6.047                  3.630                -19.941
 Raman3 Fr= 1--      13.288                 15.300                 10.660
 ROA3   Fr= 1--    -159.343                203.645               -545.450
 CID3   Fr= 1--     -11.992                 13.310                -51.166
 RC180  Fr= 1--       0.333                  0.486                  0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.04     0.02  -0.01  -0.04    -0.03   0.00   0.03
     2   6    -0.04   0.00   0.08     0.02   0.02   0.02     0.01  -0.02  -0.03
     3   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.03
     4   6     0.00   0.02   0.04     0.07   0.06   0.10    -0.01  -0.04  -0.08
     5   6     0.03   0.00  -0.02     0.03  -0.01  -0.05    -0.02   0.01   0.03
     6   6    -0.03  -0.02  -0.03    -0.04  -0.01  -0.01     0.03   0.02   0.02
     7   6     0.01  -0.00  -0.06     0.00  -0.01   0.01    -0.02   0.01  -0.01
     8   6    -0.00   0.00   0.15     0.00  -0.00  -0.02    -0.01   0.00  -0.00
     9   6     0.01   0.01  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.01
    10   6    -0.00  -0.00  -0.05     0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6    -0.03  -0.00  -0.01    -0.16  -0.00  -0.01     0.04   0.08  -0.01
    12   6     0.01   0.00   0.00     0.02   0.06  -0.03    -0.05   0.09  -0.06
    13   8    -0.00   0.00   0.01    -0.02   0.00   0.05    -0.00  -0.00   0.05
    14   8     0.00  -0.00  -0.01     0.02  -0.03  -0.03     0.03  -0.04  -0.03
    15   1     0.14  -0.01  -0.10    -0.21  -0.02   0.09     0.11   0.01  -0.05
    16   1     0.02  -0.00  -0.01    -0.22  -0.13  -0.15     0.10   0.06   0.07
    17   1     0.01  -0.00  -0.00     0.09  -0.01  -0.08    -0.10  -0.01   0.08
    18   1    -0.05  -0.04  -0.05     0.04   0.03   0.03    -0.08  -0.04  -0.04
    19   1    -0.42   0.21  -0.20     0.09  -0.02   0.03    -0.00  -0.02   0.00
    20   1     0.46  -0.15   0.23    -0.19   0.04  -0.06     0.16  -0.04   0.06
    21   1    -0.00   0.25   0.16    -0.03  -0.09  -0.04     0.09   0.08   0.04
    22   1     0.04  -0.33  -0.06    -0.00   0.06   0.01    -0.00  -0.03  -0.01
    23   1    -0.08   0.14   0.15     0.02  -0.02  -0.02    -0.01   0.00   0.01
    24   1     0.03  -0.05   0.18    -0.01   0.01  -0.03     0.00   0.00   0.01
    25   1     0.14   0.05   0.03    -0.00  -0.00  -0.00    -0.03  -0.00  -0.00
    26   1    -0.05  -0.06   0.11     0.00   0.01  -0.01     0.01   0.01  -0.01
    27   1    -0.11   0.02   0.09     0.00  -0.01  -0.01     0.02   0.01  -0.01
    28   1     0.09  -0.01  -0.04     0.61  -0.18  -0.14    -0.05  -0.55   0.25
    29   6     0.01   0.00   0.01     0.05   0.00   0.01    -0.02  -0.04  -0.04
    30   1     0.00  -0.02   0.05     0.04  -0.15   0.44     0.08  -0.19   0.59
    31   1    -0.03  -0.02  -0.01    -0.11  -0.12   0.02     0.06  -0.03   0.15
    32   1    -0.03  -0.02   0.02    -0.14  -0.03   0.06     0.04   0.11  -0.11
    33   1     0.00   0.03  -0.04     0.01   0.12  -0.08    -0.03  -0.03   0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.3569              1349.7290              1363.6703
 Red. masses --      1.3466                 2.1911                 1.5746
 Frc consts  --      1.3811                 2.3518                 1.7252
 IR Inten    --      1.4435                 0.6775                 0.8558
 RamAct Fr= 1--     17.7172                 2.6356                 7.0410
  Dep-P Fr= 1--      0.3272                 0.7498                 0.3671
  Dep-U Fr= 1--      0.4931                 0.8570                 0.5371
 Alpha2 Fr= 1--      0.1672                 0.0000                 0.0584
 Beta2  Fr= 1--      1.4561                 0.3765                 0.6303
 AlphaG Fr= 1--      0.0190                -0.0012                 0.0866
 Gamma2 Fr= 1--     -0.3775                 4.1623                -1.4577
 Delta2 Fr= 1--      0.7865                 1.9431                -1.6687
 Raman1 Fr= 1--      70.869                 10.543                 28.164
 ROA1   Fr= 1--     -11.071                461.758               -193.341
 CID1   Fr= 1--      -0.156                 43.799                 -6.865
 Raman2 Fr= 1--      17.473                  4.518                  7.563
 ROA2   Fr= 1--     -15.351                 84.349                -21.636
 CID2   Fr= 1--      -0.879                 18.671                 -2.861
 Raman3 Fr= 1--      34.945                  9.035                 15.126
 ROA3   Fr= 1--     -11.071                461.758               -193.341
 CID3   Fr= 1--      -0.317                 51.105                -12.782
 RC180  Fr= 1--      -0.014                  0.714                  0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.08   0.00  -0.04    -0.09  -0.01   0.04
     2   6     0.06  -0.02  -0.01    -0.00   0.07   0.18    -0.01   0.00   0.00
     3   6    -0.00   0.00   0.01    -0.11  -0.06  -0.05     0.04   0.02   0.01
     4   6     0.01   0.01   0.01    -0.02   0.02   0.07     0.03  -0.03  -0.10
     5   6    -0.02  -0.01  -0.01     0.11   0.01  -0.07    -0.03  -0.01   0.01
     6   6     0.01   0.01   0.01    -0.06  -0.04  -0.04     0.07   0.04   0.04
     7   6    -0.12   0.02  -0.04     0.01  -0.03  -0.05     0.05  -0.02  -0.01
     8   6    -0.05   0.01  -0.04    -0.05   0.06  -0.03    -0.05   0.04  -0.01
     9   6     0.02   0.01  -0.01     0.01  -0.01   0.03     0.01  -0.01   0.01
    10   6    -0.00  -0.02   0.06     0.01  -0.02   0.02     0.01  -0.01   0.01
    11   6    -0.02  -0.02   0.00     0.03   0.03  -0.02    -0.06  -0.05   0.04
    12   6     0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   8    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.11  -0.02   0.06     0.17   0.02  -0.10     0.32   0.02  -0.19
    16   1    -0.12  -0.06  -0.05     0.31   0.18   0.17     0.18   0.09   0.08
    17   1     0.01  -0.01  -0.03    -0.34  -0.04   0.18    -0.21  -0.02   0.11
    18   1     0.01  -0.02   0.01    -0.18  -0.10  -0.11    -0.32  -0.16  -0.18
    19   1     0.32  -0.15   0.11     0.24   0.08   0.04    -0.16   0.13  -0.08
    20   1     0.47  -0.15   0.24    -0.18  -0.03   0.02    -0.05   0.00  -0.03
    21   1     0.55   0.21   0.19     0.32  -0.40   0.10     0.25  -0.24   0.10
    22   1    -0.04  -0.08  -0.03    -0.06   0.06   0.00    -0.06   0.04  -0.01
    23   1    -0.04  -0.03  -0.00     0.01  -0.08  -0.05    -0.01  -0.03   0.01
    24   1     0.01   0.01  -0.01    -0.01   0.01  -0.09    -0.01   0.03  -0.04
    25   1    -0.14  -0.01  -0.00    -0.05   0.05  -0.00    -0.04   0.04  -0.01
    26   1     0.06   0.06  -0.10    -0.02   0.02  -0.07    -0.01   0.01  -0.03
    27   1     0.16   0.04  -0.06     0.07   0.03  -0.01     0.02   0.02   0.02
    28   1     0.07   0.09  -0.06    -0.20  -0.15   0.11     0.43   0.30  -0.22
    29   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.02   0.02   0.02
    30   1    -0.01   0.02  -0.07     0.00  -0.00   0.01    -0.00  -0.01   0.01
    31   1    -0.02  -0.00  -0.02     0.02   0.01   0.02    -0.05  -0.01  -0.08
    32   1    -0.02  -0.02   0.02     0.04   0.04  -0.03    -0.05  -0.02   0.05
    33   1     0.01   0.01  -0.03    -0.01  -0.01   0.01     0.02   0.03  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.5239              1374.9912              1392.5346
 Red. masses --      1.4761                 1.3041                 1.9982
 Frc consts  --      1.6384                 1.4527                 2.2830
 IR Inten    --      0.5385                 2.9997                47.5217
 RamAct Fr= 1--      2.9000                18.2496                 3.7453
  Dep-P Fr= 1--      0.2706                 0.5865                 0.7494
  Dep-U Fr= 1--      0.4259                 0.7394                 0.8567
 Alpha2 Fr= 1--      0.0324                 0.0557                 0.0000
 Beta2  Fr= 1--      0.2059                 2.2489                 0.5348
 AlphaG Fr= 1--      0.1387                 0.1302                 0.0023
 Gamma2 Fr= 1--      2.5662                 1.9338                 1.6686
 Delta2 Fr= 1--      0.4022                -2.0347                -1.5255
 Raman1 Fr= 1--      11.600                 72.998                 14.981
 ROA1   Fr= 1--     259.223                120.540                111.371
 CID1   Fr= 1--      22.347                  1.651                  7.434
 Raman2 Fr= 1--       2.470                 26.987                  6.417
 ROA2   Fr= 1--      58.370                 62.690                 52.250
 CID2   Fr= 1--      23.627                  2.323                  8.142
 Raman3 Fr= 1--       4.941                 53.974                 12.835
 ROA3   Fr= 1--     259.223                120.540                111.371
 CID3   Fr= 1--      52.464                  2.233                  8.677
 RC180  Fr= 1--      -0.148                  0.479                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.03   0.00  -0.01
     2   6    -0.02   0.01   0.00     0.01   0.02   0.05    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.00   0.01
     4   6    -0.00   0.00   0.01     0.01  -0.01  -0.03    -0.01   0.02   0.01
     5   6     0.01   0.00   0.00     0.03   0.00  -0.02     0.02   0.00  -0.00
     6   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.03  -0.02  -0.01
     7   6     0.09   0.00   0.03    -0.06   0.03   0.00     0.00  -0.00   0.00
     8   6    -0.10  -0.12  -0.04     0.07  -0.09   0.00    -0.01   0.00  -0.00
     9   6     0.04   0.00  -0.03    -0.01   0.01  -0.03     0.00  -0.00   0.00
    10   6    -0.00   0.03   0.04    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    11   6     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.08  -0.15   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.11   0.15  -0.11
    13   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.03
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05   0.01
    15   1    -0.01   0.01   0.01     0.18   0.01  -0.09    -0.11  -0.01   0.07
    16   1     0.01   0.01   0.00     0.18   0.11   0.10    -0.03   0.00  -0.00
    17   1     0.03   0.01  -0.01    -0.25  -0.02   0.13     0.01   0.03  -0.01
    18   1     0.04   0.03   0.02    -0.19  -0.11  -0.09     0.08   0.05   0.05
    19   1    -0.22   0.09  -0.08     0.40  -0.22   0.16    -0.03   0.02  -0.01
    20   1    -0.40   0.13  -0.20    -0.11   0.02   0.02     0.01   0.00  -0.01
    21   1     0.44   0.53   0.18    -0.34   0.52  -0.15     0.03  -0.02   0.01
    22   1    -0.08   0.06  -0.07     0.07  -0.04   0.01    -0.00   0.01  -0.00
    23   1    -0.07   0.09   0.17     0.01   0.08   0.03    -0.00   0.00   0.00
    24   1    -0.04   0.19   0.11    -0.00   0.01   0.08    -0.00   0.01   0.00
    25   1    -0.02  -0.08   0.02     0.08  -0.09   0.03    -0.00   0.00   0.00
    26   1     0.13   0.06  -0.04     0.05  -0.01   0.04     0.00   0.00  -0.00
    27   1     0.09  -0.03  -0.10    -0.00  -0.03  -0.06     0.00   0.00   0.00
    28   1    -0.05  -0.05   0.03     0.15   0.12  -0.08    -0.36   0.65  -0.17
    29   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01   0.06   0.01
    30   1    -0.00   0.00  -0.01     0.00  -0.01   0.02     0.05  -0.15   0.42
    31   1     0.01   0.00   0.01    -0.02   0.00  -0.04    -0.07   0.01   0.00
    32   1     0.01   0.01  -0.01    -0.01   0.00   0.01     0.11  -0.18   0.08
    33   1    -0.00   0.00   0.01     0.00   0.01  -0.04     0.07  -0.16  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4907              1415.8038              1422.8298
 Red. masses --      1.2574                 1.2217                 1.2354
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.4388                11.4897                 6.3922
 RamAct Fr= 1--      0.2965                 0.7185                 0.9055
  Dep-P Fr= 1--      0.3862                 0.6819                 0.5767
  Dep-U Fr= 1--      0.5572                 0.8108                 0.7316
 Alpha2 Fr= 1--      0.0023                 0.0009                 0.0029
 Beta2  Fr= 1--      0.0275                 0.0971                 0.1104
 AlphaG Fr= 1--      0.0041                 0.0026                 0.0058
 Gamma2 Fr= 1--      0.0248                -0.0288                 0.1883
 Delta2 Fr= 1--     -0.0059                 0.0602                -0.1022
 Raman1 Fr= 1--       1.186                  2.874                  3.622
 ROA1   Fr= 1--       2.194                 -0.841                 14.801
 CID1   Fr= 1--       1.850                 -0.293                  4.086
 Raman2 Fr= 1--       0.330                  1.165                  1.325
 ROA2   Fr= 1--       0.643                 -1.173                  5.336
 CID2   Fr= 1--       1.947                 -1.007                  4.028
 Raman3 Fr= 1--       0.661                  2.330                  2.650
 ROA3   Fr= 1--       2.194                 -0.841                 14.801
 CID3   Fr= 1--       3.320                 -0.361                  5.586
 RC180  Fr= 1--       0.114                  0.622                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
     8   6     0.02   0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     9   6    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00     0.00  -0.10  -0.04
    10   6    -0.10  -0.05  -0.01    -0.00  -0.00  -0.00     0.09   0.03  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.04  -0.00   0.02    -0.00  -0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01     0.00   0.00   0.00
    17   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.01  -0.00   0.00
    18   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00  -0.00   0.00
    19   1     0.01   0.02   0.00    -0.02   0.00  -0.01     0.07   0.02   0.02
    20   1     0.07  -0.02   0.02     0.02  -0.00  -0.00     0.10  -0.01   0.01
    21   1    -0.04  -0.09  -0.02     0.00  -0.01   0.00    -0.02  -0.02  -0.00
    22   1     0.08   0.38   0.00     0.00   0.00  -0.00     0.04   0.42  -0.02
    23   1     0.12   0.28   0.21    -0.00   0.00   0.00     0.09   0.30   0.27
    24   1    -0.16   0.31   0.13    -0.00   0.00   0.00    -0.17   0.34   0.16
    25   1     0.35   0.19   0.18    -0.00   0.00  -0.00    -0.33  -0.11  -0.18
    26   1     0.41  -0.02  -0.06     0.00  -0.00  -0.00    -0.38   0.00   0.06
    27   1     0.30   0.29  -0.06    -0.00   0.00   0.00    -0.28  -0.23   0.12
    28   1    -0.00  -0.01   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.01  -0.02   0.05    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.21   0.24  -0.50    -0.00  -0.00   0.00
    32   1    -0.00  -0.00   0.00     0.09   0.54  -0.18    -0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.14   0.35  -0.38     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1459.9011              1485.5744              1490.2132
 Red. masses --      2.4884                 1.0756                 1.0458
 Frc consts  --      3.1248                 1.3986                 1.3683
 IR Inten    --      8.3335                 0.4701                 2.2054
 RamAct Fr= 1--      0.6566                 1.9192                14.4965
  Dep-P Fr= 1--      0.5880                 0.6690                 0.7337
  Dep-U Fr= 1--      0.7406                 0.8016                 0.8464
 Alpha2 Fr= 1--      0.0020                 0.0028                 0.0040
 Beta2  Fr= 1--      0.0810                 0.2564                 2.0450
 AlphaG Fr= 1--     -0.0290                 0.0322                -0.0068
 Gamma2 Fr= 1--     -4.0059                 1.6062                 5.9489
 Delta2 Fr= 1--      1.7317                -0.1229                 1.2016
 Raman1 Fr= 1--       2.626                  7.677                 57.986
 ROA1   Fr= 1--    -329.154                150.258                609.544
 CID1   Fr= 1--    -125.333                 19.573                 10.512
 Raman2 Fr= 1--       0.972                  3.077                 24.540
 ROA2   Fr= 1--    -109.996                 39.531                133.160
 CID2   Fr= 1--    -113.114                 12.847                  5.426
 Raman3 Fr= 1--       1.945                  6.154                 49.081
 ROA3   Fr= 1--    -329.154                150.258                609.544
 CID3   Fr= 1--    -169.242                 24.416                 12.419
 RC180  Fr= 1--       0.481                  0.603                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.02   0.06   0.14     0.01  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.13   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01   0.06   0.14     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.14  -0.05  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.03  -0.04     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.04    -0.04  -0.04   0.02     0.01   0.02  -0.01
     8   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.01
     9   6    -0.00  -0.00   0.00     0.03   0.00   0.01    -0.00  -0.01   0.03
    10   6     0.00   0.01   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.04
    11   6     0.04  -0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.01   0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.26  -0.03  -0.25    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.24  -0.19  -0.26    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.31  -0.02  -0.28    -0.00  -0.00  -0.00    -0.01   0.00   0.01
    18   1    -0.22  -0.17  -0.25    -0.02  -0.01  -0.01     0.01   0.00   0.01
    19   1     0.23  -0.07   0.05     0.14   0.43   0.08    -0.05  -0.17  -0.03
    20   1    -0.19  -0.02   0.06     0.22   0.10  -0.38    -0.08  -0.04   0.15
    21   1    -0.02   0.02  -0.01    -0.03  -0.00  -0.02     0.05   0.03   0.02
    22   1    -0.01  -0.01  -0.00    -0.33   0.08  -0.13    -0.12  -0.22  -0.02
    23   1     0.03   0.03  -0.00    -0.16   0.04   0.23     0.30   0.19  -0.09
    24   1    -0.01   0.03  -0.03     0.07  -0.13  -0.19    -0.10   0.22  -0.37
    25   1     0.03  -0.04   0.01     0.12  -0.38   0.03    -0.18  -0.23  -0.11
    26   1    -0.04   0.01  -0.00    -0.11  -0.10   0.27     0.13  -0.19   0.45
    27   1     0.01  -0.04  -0.05     0.19   0.07  -0.16     0.06   0.33   0.25
    28   1    -0.35  -0.05   0.08    -0.01  -0.00   0.00     0.01   0.00  -0.01
    29   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03   0.02  -0.00     0.00   0.00   0.00     0.04   0.03   0.04
    32   1     0.08   0.03  -0.02     0.01  -0.00  -0.00     0.03  -0.04   0.00
    33   1    -0.01   0.00  -0.07    -0.00   0.00  -0.00    -0.02   0.04  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.0794              1497.6632              1498.7268
 Red. masses --      1.0467                 1.0758                 1.0553
 Frc consts  --      1.3729                 1.4217                 1.3966
 IR Inten    --      4.2664                 2.4718                 9.2938
 RamAct Fr= 1--      5.7848                 3.9133                 5.6752
  Dep-P Fr= 1--      0.6013                 0.7439                 0.6611
  Dep-U Fr= 1--      0.7510                 0.8531                 0.7960
 Alpha2 Fr= 1--      0.0159                 0.0004                 0.0090
 Beta2  Fr= 1--      0.7241                 0.5564                 0.7529
 AlphaG Fr= 1--      0.0011                 0.0074                 0.0730
 Gamma2 Fr= 1--     -3.9667                 2.5703                -0.9266
 Delta2 Fr= 1--     -3.3624                 0.2314                 1.0685
 Raman1 Fr= 1--      23.139                 15.653                 22.701
 ROA1   Fr= 1--    -488.399                254.156                -54.765
 CID1   Fr= 1--     -21.107                 16.237                 -2.412
 Raman2 Fr= 1--       8.689                  6.677                  9.035
 ROA2   Fr= 1--     -68.301                 59.836                -30.788
 CID2   Fr= 1--      -7.861                  8.961                 -3.408
 Raman3 Fr= 1--      17.378                 13.354                 18.069
 ROA3   Fr= 1--    -488.399                254.156                -54.765
 CID3   Fr= 1--     -28.105                 19.032                 -3.031
 RC180  Fr= 1--       0.502                  0.706                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00  -0.01
     3   6     0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01     0.01   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.03  -0.04   0.03     0.01   0.01  -0.00
     8   6     0.00   0.00   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    11   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.01
    16   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01   0.00
    17   1    -0.03  -0.00   0.02     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    18   1    -0.02  -0.01  -0.01    -0.03  -0.01  -0.02     0.00   0.00   0.01
    19   1     0.00   0.01   0.00     0.14   0.44   0.08    -0.03  -0.08  -0.02
    20   1     0.01   0.00  -0.00     0.16   0.12  -0.42    -0.02  -0.02   0.07
    21   1    -0.01  -0.01  -0.00     0.03   0.07   0.01    -0.01  -0.01  -0.00
    22   1     0.00   0.02  -0.00     0.34  -0.13   0.13    -0.06   0.03  -0.02
    23   1    -0.03  -0.01   0.02     0.16  -0.06  -0.27    -0.03   0.01   0.05
    24   1     0.01  -0.02   0.03    -0.06   0.12   0.18     0.01  -0.03  -0.03
    25   1     0.02   0.02   0.01    -0.20   0.19  -0.08     0.02  -0.02   0.01
    26   1    -0.02   0.02  -0.05     0.20  -0.03   0.03    -0.02   0.00  -0.01
    27   1    -0.00  -0.04  -0.03    -0.11   0.14   0.27     0.01  -0.02  -0.03
    28   1     0.04   0.04  -0.05    -0.01  -0.01   0.01     0.05  -0.07   0.03
    29   6    -0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.02   0.03
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    31   1     0.48   0.27   0.42    -0.02  -0.03   0.05    -0.22  -0.20   0.25
    32   1     0.34  -0.39   0.05     0.11   0.01  -0.03     0.58   0.11  -0.15
    33   1    -0.17   0.43  -0.11     0.01  -0.04  -0.10     0.11  -0.33  -0.55
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.1739              1511.0182              1551.5886
 Red. masses --      1.0528                 1.0511                 2.4409
 Frc consts  --      1.4035                 1.4139                 3.4623
 IR Inten    --      4.5950                12.1915                25.5528
 RamAct Fr= 1--     11.1949                 1.0906                 0.6940
  Dep-P Fr= 1--      0.7308                 0.5126                 0.6614
  Dep-U Fr= 1--      0.8445                 0.6777                 0.7962
 Alpha2 Fr= 1--      0.0037                 0.0051                 0.0011
 Beta2  Fr= 1--      1.5756                 0.1232                 0.0921
 AlphaG Fr= 1--      0.0130                -0.0063                 0.0112
 Gamma2 Fr= 1--     -0.9995                -1.8858                -0.0970
 Delta2 Fr= 1--      0.1215                -0.4705                -0.2665
 Raman1 Fr= 1--      44.779                  4.362                  2.776
 ROA1   Fr= 1--     -92.064               -196.091                -17.840
 CID1   Fr= 1--      -2.056                -44.952                 -6.427
 Raman2 Fr= 1--      18.907                  1.478                  1.105
 ROA2   Fr= 1--     -24.960                -41.495                 -0.196
 CID2   Fr= 1--      -1.320                -28.071                 -0.177
 Raman3 Fr= 1--      37.814                  2.956                  2.210
 ROA3   Fr= 1--     -92.064               -196.091                -17.840
 CID3   Fr= 1--      -2.435                -66.326                 -8.072
 RC180  Fr= 1--       0.689                  0.355                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.01   0.10
     2   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.15   0.04  -0.01
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.07  -0.10
     4   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.15   0.05   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.10   0.01   0.09
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.06  -0.09
     7   6    -0.00   0.01  -0.00     0.01   0.01  -0.00    -0.03  -0.01   0.00
     8   6     0.03  -0.02  -0.01    -0.01   0.02  -0.03    -0.00   0.00  -0.00
     9   6     0.03   0.01  -0.01    -0.01   0.01  -0.03     0.00   0.00  -0.00
    10   6     0.00  -0.03  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.43   0.06  -0.18
    16   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.43   0.21   0.17
    17   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.40   0.06  -0.17
    18   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01     0.37   0.17   0.14
    19   1     0.04  -0.04   0.01    -0.02  -0.13  -0.02    -0.04  -0.03  -0.00
    20   1    -0.03   0.00   0.01    -0.07  -0.03   0.11    -0.04  -0.01   0.02
    21   1    -0.02   0.04  -0.03     0.06  -0.06  -0.01     0.01  -0.00   0.00
    22   1    -0.32   0.19  -0.13     0.30   0.24   0.09     0.00   0.01  -0.00
    23   1    -0.31  -0.02   0.31    -0.27  -0.26  -0.02    -0.01  -0.01   0.00
    24   1     0.13  -0.26  -0.05     0.07  -0.18   0.50     0.01  -0.01   0.01
    25   1    -0.29   0.34  -0.11    -0.06  -0.32  -0.05    -0.00  -0.01  -0.00
    26   1     0.32  -0.02  -0.01     0.01  -0.16   0.39    -0.00  -0.01   0.01
    27   1    -0.20   0.18   0.41     0.14   0.23   0.06     0.01   0.01  -0.00
    28   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.01   0.00  -0.01     0.00   0.00   0.00     0.05   0.03   0.03
    32   1    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    33   1    -0.00   0.01   0.01    -0.00   0.00  -0.00    -0.02   0.05  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.3602              1658.3011              1805.6964
 Red. masses --      6.0484                 5.7958                 9.5418
 Frc consts  --      9.3334                 9.3905                18.3304
 IR Inten    --      0.2528                 1.5838               271.3876
 RamAct Fr= 1--      1.7926               115.2108                14.3437
  Dep-P Fr= 1--      0.7197                 0.4755                 0.1602
  Dep-U Fr= 1--      0.8370                 0.6446                 0.2762
 Alpha2 Fr= 1--      0.0009                 0.6350                 0.2160
 Beta2  Fr= 1--      0.2501                12.3766                 0.6603
 AlphaG Fr= 1--      0.0154                 0.3195                -0.3734
 Gamma2 Fr= 1--      0.2149                 5.5689                -1.0385
 Delta2 Fr= 1--     -0.0751                 0.5396                 0.8051
 Raman1 Fr= 1--       7.171                460.843                 57.375
 ROA1   Fr= 1--      18.232                551.882                -73.937
 CID1   Fr= 1--       2.543                  1.198                 -1.289
 Raman2 Fr= 1--       3.001                148.519                  7.924
 ROA2   Fr= 1--       5.759                129.338                -31.366
 CID2   Fr= 1--       1.919                  0.871                 -3.958
 Raman3 Fr= 1--       6.002                297.039                 15.847
 ROA3   Fr= 1--      18.232                551.882                -73.937
 CID3   Fr= 1--       3.038                  1.858                 -4.666
 RC180  Fr= 1--       0.674                  0.289                 -0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.19     0.29   0.06  -0.08     0.01  -0.00  -0.01
     2   6     0.01  -0.13  -0.32    -0.20  -0.06  -0.00    -0.00   0.00   0.00
     3   6    -0.07  -0.10  -0.18    -0.27  -0.11  -0.06    -0.01  -0.00   0.00
     4   6    -0.04   0.12   0.33     0.18   0.05  -0.01     0.02   0.01  -0.01
     5   6     0.12  -0.05  -0.21    -0.27  -0.05   0.08    -0.01  -0.00   0.01
     6   6     0.08   0.11   0.20     0.26   0.11   0.07     0.01   0.00  -0.00
     7   6     0.01   0.02   0.04     0.03   0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04    -0.02  -0.01   0.00     0.01  -0.04  -0.04
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.02    -0.25   0.26   0.61
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.14  -0.14  -0.40
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.06
    15   1     0.27   0.08  -0.01    -0.30   0.01   0.25    -0.01  -0.00   0.01
    16   1     0.27   0.09  -0.01     0.26   0.19   0.24    -0.03   0.01  -0.01
    17   1    -0.32  -0.09   0.03     0.27  -0.00  -0.22     0.02  -0.00  -0.01
    18   1    -0.31  -0.10  -0.01    -0.25  -0.16  -0.21    -0.00  -0.01  -0.01
    19   1    -0.23  -0.05  -0.05     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    20   1     0.16   0.00   0.02     0.03   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   1     0.01   0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    25   1     0.02  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.02   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.01  -0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    28   1    -0.27  -0.05   0.06    -0.02   0.01  -0.00     0.17  -0.16  -0.01
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.04  -0.14   0.45
    31   1     0.01   0.01  -0.00     0.02   0.01  -0.00     0.03   0.05  -0.10
    32   1    -0.01  -0.02   0.01     0.02   0.00  -0.00    -0.04   0.05   0.01
    33   1    -0.00   0.02   0.02    -0.01   0.02  -0.02    -0.03   0.03   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8332              3018.5224              3020.2666
 Red. masses --      1.0811                 1.0499                 1.0407
 Frc consts  --      5.7474                 5.6362                 5.5935
 IR Inten    --      3.1551                 8.3143                41.9392
 RamAct Fr= 1--    140.6622                13.7443                24.1212
  Dep-P Fr= 1--      0.1972                 0.5774                 0.3151
  Dep-U Fr= 1--      0.3295                 0.7321                 0.4792
 Alpha2 Fr= 1--      1.9243                 0.0445                 0.2364
 Beta2  Fr= 1--      7.7238                 1.6771                 1.9263
 AlphaG Fr= 1--      0.8978                 0.1554                -0.2580
 Gamma2 Fr= 1--     10.4164                -5.3697                -0.1660
 Delta2 Fr= 1--      6.3803                -1.9410                -3.0884
 Raman1 Fr= 1--     562.649                 54.977                 96.485
 ROA1   Fr= 1--    1204.146               -577.604               -114.762
 CID1   Fr= 1--       2.140                -10.506                 -1.189
 Raman2 Fr= 1--      92.686                 20.125                 23.116
 ROA2   Fr= 1--     198.951               -113.345                 20.723
 CID2   Fr= 1--       2.147                 -5.632                  0.896
 Raman3 Fr= 1--     185.372                 40.250                 46.232
 ROA3   Fr= 1--    1204.146               -577.604               -114.762
 CID3   Fr= 1--       6.496                -14.350                 -2.482
 RC180  Fr= 1--      -0.341                  0.464                 -0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.00   0.02    -0.02  -0.04   0.02    -0.01  -0.02   0.01
     8   6     0.03   0.00  -0.07    -0.00  -0.00   0.01     0.00   0.00   0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.03  -0.03
    10   6    -0.00   0.00   0.01     0.03   0.01  -0.01    -0.03  -0.01   0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    19   1     0.08   0.00  -0.23     0.17  -0.00  -0.50     0.09  -0.00  -0.27
    20   1    -0.00   0.02   0.01     0.05   0.51   0.21     0.02   0.25   0.11
    21   1    -0.34  -0.02   0.88     0.04   0.00  -0.09     0.00  -0.00  -0.01
    22   1     0.06  -0.00  -0.17    -0.02   0.00   0.06    -0.19   0.00   0.52
    23   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.21   0.21  -0.21
    24   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.27   0.10  -0.01
    25   1     0.05   0.01  -0.12    -0.17  -0.02   0.41     0.15   0.01  -0.36
    26   1     0.00  -0.04  -0.01     0.00  -0.31  -0.13    -0.00   0.27   0.11
    27   1    -0.02   0.02  -0.02    -0.17   0.18  -0.17     0.17  -0.17   0.16
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.8157              3047.1468              3056.3522
 Red. masses --      1.0439                 1.0355                 1.1034
 Frc consts  --      5.6348                 5.6649                 6.0726
 IR Inten    --     49.2014                23.6922                15.5965
 RamAct Fr= 1--    410.8265               209.6833                28.2875
  Dep-P Fr= 1--      0.0083                 0.0607                 0.7308
  Dep-U Fr= 1--      0.0164                 0.1144                 0.8445
 Alpha2 Fr= 1--      8.9544                 4.0379                 0.0093
 Beta2  Fr= 1--      1.1252                 3.9968                 3.9813
 AlphaG Fr= 1--     -1.2627                -0.3283                -0.1137
 Gamma2 Fr= 1--     -1.3790                -0.1135                -1.4357
 Delta2 Fr= 1--     -0.0323                 3.5116                 1.1645
 Raman1 Fr= 1--    1643.306                838.733                113.150
 ROA1   Fr= 1--    -133.420                101.473               -100.566
 CID1   Fr= 1--      -0.081                  0.121                 -0.889
 Raman2 Fr= 1--      13.503                 47.962                 47.776
 ROA2   Fr= 1--     -32.837                -30.817                -43.773
 CID2   Fr= 1--      -2.432                 -0.643                 -0.916
 Raman3 Fr= 1--      27.006                 95.924                 95.551
 ROA3   Fr= 1--    -133.420                101.473               -100.566
 CID3   Fr= 1--      -4.940                  1.058                 -1.052
 RC180  Fr= 1--      -0.967                 -0.771                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01  -0.05  -0.07
     8   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     9   6     0.01  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    10   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.09   0.00   0.26    -0.00   0.00   0.00    -0.23  -0.02   0.66
    20   1    -0.03  -0.34  -0.14    -0.00  -0.00  -0.00     0.06   0.62   0.24
    21   1    -0.07  -0.00   0.18    -0.00  -0.00   0.00    -0.05  -0.00   0.13
    22   1    -0.17   0.00   0.47    -0.00   0.00   0.00     0.01   0.00  -0.04
    23   1    -0.21   0.20  -0.20     0.00  -0.00   0.00    -0.05   0.05  -0.04
    24   1     0.27   0.11  -0.01     0.00   0.00  -0.00     0.04   0.02   0.00
    25   1    -0.13  -0.01   0.31    -0.00  -0.00   0.00     0.04   0.01  -0.09
    26   1     0.00  -0.28  -0.12     0.00  -0.00  -0.00     0.00  -0.11  -0.04
    27   1    -0.17   0.17  -0.16    -0.00   0.00  -0.00    -0.03   0.03  -0.02
    28   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.02  -0.04   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.35   0.44   0.12    -0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.10  -0.17  -0.42    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.64   0.20   0.02     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0378              3077.6981              3084.2832
 Red. masses --      1.0840                 1.0993                 1.0992
 Frc consts  --      6.0238                 6.1353                 6.1610
 IR Inten    --      6.9053                10.4291                56.4491
 RamAct Fr= 1--     68.0887                22.7251               117.0087
  Dep-P Fr= 1--      0.2055                 0.7374                 0.4536
  Dep-U Fr= 1--      0.3410                 0.8489                 0.6241
 Alpha2 Fr= 1--      0.9112                 0.0049                 0.7069
 Beta2  Fr= 1--      3.8692                 3.2152                12.1709
 AlphaG Fr= 1--     -0.3805                -0.0274                -1.1073
 Gamma2 Fr= 1--     -3.9189                -9.7883                 4.6729
 Delta2 Fr= 1--     -2.1936                 4.2640               -17.6865
 Raman1 Fr= 1--     272.355                 90.900                468.035
 ROA1   Fr= 1--    -446.408               -803.232               -117.370
 CID1   Fr= 1--      -1.639                 -8.836                 -0.251
 Raman2 Fr= 1--      46.431                 38.582                146.051
 ROA2   Fr= 1--     -76.504               -269.031                253.642
 CID2   Fr= 1--      -1.648                 -6.973                  1.737
 Raman3 Fr= 1--      92.861                 77.164                292.102
 ROA3   Fr= 1--    -446.408               -803.232               -117.370
 CID3   Fr= 1--      -4.807                -10.409                 -0.402
 RC180  Fr= 1--      -0.318                  0.698                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.02
     9   6    -0.00  -0.00   0.00    -0.00  -0.03   0.05    -0.00   0.03  -0.06
    10   6     0.00   0.00   0.00    -0.00  -0.01  -0.07     0.01  -0.03  -0.05
    11   6    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    16   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.04  -0.01   0.11
    20   1    -0.00  -0.00  -0.00     0.00   0.03   0.01     0.01   0.09   0.03
    21   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.07  -0.00   0.19
    22   1    -0.00  -0.00   0.00     0.14  -0.01  -0.36    -0.16   0.02   0.41
    23   1    -0.00   0.00  -0.00    -0.29   0.29  -0.27     0.32  -0.31   0.29
    24   1     0.00   0.00  -0.00     0.16   0.06   0.01    -0.15  -0.06  -0.01
    25   1     0.00   0.00  -0.00    -0.21  -0.02   0.50    -0.17  -0.03   0.40
    26   1     0.00  -0.00  -0.00     0.00   0.35   0.13     0.00   0.44   0.18
    27   1    -0.00   0.00  -0.00     0.22  -0.22   0.19     0.06  -0.06   0.04
    28   1     0.23   0.34   0.89     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.03  -0.06  -0.15    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.04  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0213              3103.5091              3110.7840
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1961                 6.2436                 6.2849
 IR Inten    --     41.9023                34.0411                27.5370
 RamAct Fr= 1--    120.6094                54.4566               102.5749
  Dep-P Fr= 1--      0.6622                 0.7094                 0.6796
  Dep-U Fr= 1--      0.7968                 0.8300                 0.8092
 Alpha2 Fr= 1--      0.1888                 0.0383                 0.1274
 Beta2  Fr= 1--     16.0164                 7.5330                13.8346
 AlphaG Fr= 1--     -0.0018                -0.1419                 0.0793
 Gamma2 Fr= 1--      6.7343                -8.5748                -1.3793
 Delta2 Fr= 1--     12.0129                -0.7280                -4.0044
 Raman1 Fr= 1--     482.438                217.826                410.300
 ROA1   Fr= 1--    1030.908               -846.479               -260.556
 CID1   Fr= 1--       2.137                 -3.886                 -0.635
 Raman2 Fr= 1--     192.196                 90.396                166.015
 ROA2   Fr= 1--      65.521               -199.971                 -1.069
 CID2   Fr= 1--       0.341                 -2.212                 -0.006
 Raman3 Fr= 1--     384.393                180.792                332.030
 ROA3   Fr= 1--    1030.908               -846.479               -260.556
 CID3   Fr= 1--       2.682                 -4.682                 -0.785
 RC180  Fr= 1--       0.594                  0.660                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.01   0.02    -0.09  -0.01  -0.01     0.00   0.00   0.00
    10   6     0.03  -0.08   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.02   0.00  -0.05     0.01  -0.00  -0.03    -0.00   0.00   0.00
    22   1     0.04  -0.00  -0.12     0.04  -0.00  -0.17    -0.00   0.00   0.00
    23   1    -0.08   0.08  -0.08     0.24  -0.26   0.25    -0.00   0.00  -0.00
    24   1     0.08   0.03   0.00     0.81   0.34  -0.00    -0.01  -0.00   0.00
    25   1     0.05  -0.01  -0.10     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.53   0.23    -0.00  -0.02  -0.01     0.00  -0.00  -0.00
    27   1    -0.46   0.44  -0.44     0.02  -0.02   0.02    -0.00   0.00  -0.00
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.05
    29   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.40  -0.53  -0.14
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.07   0.18
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.67   0.23   0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.5770              3160.0843              3160.7705
 Red. masses --      1.1014                 1.0875                 1.0868
 Frc consts  --      6.3556                 6.3984                 6.3973
 IR Inten    --     12.7840                19.3846                 3.1612
 RamAct Fr= 1--     27.6931                14.1561               103.0026
  Dep-P Fr= 1--      0.6673                 0.1542                 0.6913
  Dep-U Fr= 1--      0.8004                 0.2672                 0.8175
 Alpha2 Fr= 1--      0.0407                 0.2165                 0.1059
 Beta2  Fr= 1--      3.6945                 0.6304                14.0336
 AlphaG Fr= 1--     -0.0054                 0.1861                 0.1299
 Gamma2 Fr= 1--     -0.0743                 1.2518                -3.2798
 Delta2 Fr= 1--      1.8849                 0.8574                 1.0973
 Raman1 Fr= 1--     110.773                 56.624                412.010
 ROA1   Fr= 1--      53.179                147.611               -279.743
 CID1   Fr= 1--       0.480                  2.607                 -0.679
 Raman2 Fr= 1--      44.333                  7.564                168.404
 ROA2   Fr= 1--     -16.864                 23.184                -87.492
 CID2   Fr= 1--      -0.380                  3.065                 -0.520
 Raman3 Fr= 1--      88.667                 15.128                336.808
 ROA3   Fr= 1--      53.179                147.611               -279.743
 CID3   Fr= 1--       0.600                  9.757                 -0.831
 RC180  Fr= 1--       0.601                 -0.466                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.05    -0.02  -0.02  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.01   0.00   0.01
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.02   0.04
     6   6     0.00  -0.00  -0.00    -0.02   0.01   0.03     0.03  -0.01  -0.04
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.01   0.01     0.31   0.36   0.61     0.20   0.24   0.40
    16   1     0.02  -0.01  -0.03     0.17  -0.06  -0.26     0.10  -0.04  -0.16
    17   1    -0.01  -0.01  -0.01     0.16   0.18   0.33    -0.23  -0.25  -0.45
    18   1    -0.00   0.00   0.00     0.20  -0.06  -0.30    -0.33   0.10   0.50
    19   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.01
    20   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
    23   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1     0.04   0.05   0.14     0.00   0.00   0.01    -0.01  -0.01  -0.02
    29   6    -0.01  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.28   0.34   0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    32   1     0.18   0.29   0.78    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    33   1     0.18   0.05  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.2789              3183.8238              3723.2643
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5051                 6.5285                 8.6899
 IR Inten    --     17.6225                 2.4970                65.6834
 RamAct Fr= 1--    116.4683               135.7666               117.0407
  Dep-P Fr= 1--      0.1409                 0.1299                 0.2431
  Dep-U Fr= 1--      0.2469                 0.2299                 0.3911
 Alpha2 Fr= 1--      1.8426                 2.2077                 1.4140
 Beta2  Fr= 1--      4.7931                 5.2026                 7.6300
 AlphaG Fr= 1--     -0.9699                 0.0211                -0.2595
 Gamma2 Fr= 1--     -6.2506                 4.5851                -4.9241
 Delta2 Fr= 1--     -2.2942                 0.9846                 0.1865
 Raman1 Fr= 1--     465.873                543.066                468.163
 ROA1   Fr= 1--    -673.475                471.680               -466.749
 CID1   Fr= 1--      -1.446                  0.869                 -0.997
 Raman2 Fr= 1--      57.517                 62.431                 91.560
 ROA2   Fr= 1--    -131.662                102.166               -119.671
 CID2   Fr= 1--      -2.289                  1.636                 -1.307
 Raman3 Fr= 1--     115.034                124.862                183.121
 ROA3   Fr= 1--    -673.475                471.680               -466.749
 CID3   Fr= 1--      -5.855                  3.778                 -2.549
 RC180  Fr= 1--      -0.506                 -0.540                 -0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.01  -0.00  -0.01     0.04  -0.01  -0.07    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03  -0.03  -0.05     0.00   0.00   0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01  -0.05    -0.01   0.00   0.01     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.02
    15   1     0.01   0.01   0.01     0.15   0.17   0.29    -0.00  -0.00  -0.00
    16   1    -0.09   0.03   0.13    -0.49   0.17   0.75     0.00   0.00   0.00
    17   1     0.29   0.31   0.56    -0.04  -0.04  -0.08     0.00   0.00   0.00
    18   1    -0.37   0.12   0.57     0.06  -0.02  -0.10    -0.00   0.00   0.00
    19   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.54   0.80   0.24
    31   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    32   1     0.00   0.00   0.01     0.01   0.01   0.03     0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1165.557297383.385407460.60428
           X            0.99997   0.00786   0.00163
           Y           -0.00785   0.99995  -0.00648
           Z           -0.00168   0.00646   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07431     0.01173     0.01161
 Rotational constants (GHZ):           1.54839     0.24443     0.24190
 Zero-point vibrational energy     745942.0 (Joules/Mol)
                                  178.28441 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     34.95    55.20    66.41    72.39   101.38
          (Kelvin)            136.84   256.49   291.02   319.25   329.62
                              346.11   363.50   414.20   464.98   501.54
                              554.47   591.41   602.26   611.02   688.10
                              735.65   849.64   888.63   923.42   957.43
                             1028.92  1097.43  1148.58  1190.53  1206.52
                             1228.03  1230.53  1259.33  1291.31  1347.62
                             1372.41  1384.47  1398.70  1405.71  1459.29
                             1505.11  1560.07  1578.46  1592.10  1638.54
                             1651.78  1671.33  1717.68  1743.52  1759.28
                             1779.33  1795.04  1841.78  1883.80  1898.26
                             1941.96  1962.02  1974.76  1978.31  2003.55
                             2019.31  2037.03  2047.13  2100.47  2137.41
                             2144.08  2146.77  2154.80  2156.33  2164.17
                             2174.02  2232.39  2328.46  2385.93  2597.99
                             4321.85  4342.98  4345.49  4354.91  4384.16
                             4397.41  4418.54  4428.12  4437.60  4445.85
                             4465.26  4475.72  4502.76  4546.66  4547.64
                             4571.40  4580.81  5356.95
 
 Zero-point correction=                           0.284114 (Hartree/Particle)
 Thermal correction to Energy=                    0.299817
 Thermal correction to Enthalpy=                  0.300761
 Thermal correction to Gibbs Free Energy=         0.239359
 Sum of electronic and zero-point Energies=           -656.740262
 Sum of electronic and thermal Energies=              -656.724559
 Sum of electronic and thermal Enthalpies=            -656.723615
 Sum of electronic and thermal Free Energies=         -656.785017
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.138             58.751            129.232
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.529
 Vibrational            186.361             52.790             54.829
 Vibration     1          0.593              1.985              6.248
 Vibration     2          0.594              1.982              5.342
 Vibration     3          0.595              1.979              4.976
 Vibration     4          0.595              1.977              4.805
 Vibration     5          0.598              1.968              4.140
 Vibration     6          0.603              1.953              3.552
 Vibration     7          0.629              1.869              2.346
 Vibration     8          0.639              1.837              2.112
 Vibration     9          0.648              1.808              1.944
 Vibration    10          0.652              1.797              1.886
 Vibration    11          0.658              1.778              1.799
 Vibration    12          0.664              1.758              1.712
 Vibration    13          0.685              1.696              1.486
 Vibration    14          0.708              1.629              1.294
 Vibration    15          0.726              1.578              1.173
 Vibration    16          0.754              1.501              1.018
 Vibration    17          0.775              1.446              0.923
 Vibration    18          0.781              1.430              0.897
 Vibration    19          0.787              1.417              0.876
 Vibration    20          0.835              1.298              0.715
 Vibration    21          0.866              1.225              0.630
 Vibration    22          0.948              1.052              0.466
 Vibration    23          0.977              0.995              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.799330-110       -110.097274       -253.508342
 Total V=0       0.385578D+21         20.586113         47.401276
 Vib (Bot)       0.239569-124       -124.620569       -286.949464
 Vib (Bot)    1  0.852638D+01          0.930765          2.143165
 Vib (Bot)    2  0.539327D+01          0.731852          1.685152
 Vib (Bot)    3  0.448023D+01          0.651300          1.499674
 Vib (Bot)    4  0.410873D+01          0.613708          1.413115
 Vib (Bot)    5  0.292685D+01          0.466401          1.073928
 Vib (Bot)    6  0.215982D+01          0.334417          0.770024
 Vib (Bot)    7  0.112732D+01          0.052046          0.119840
 Vib (Bot)    8  0.984916D+00         -0.006601         -0.015199
 Vib (Bot)    9  0.890734D+00         -0.050252         -0.115710
 Vib (Bot)   10  0.860054D+00         -0.065474         -0.150760
 Vib (Bot)   11  0.814911D+00         -0.088890         -0.204677
 Vib (Bot)   12  0.771537D+00         -0.112643         -0.259371
 Vib (Bot)   13  0.665041D+00         -0.177152         -0.407907
 Vib (Bot)   14  0.580555D+00         -0.236157         -0.543771
 Vib (Bot)   15  0.529755D+00         -0.275925         -0.635341
 Vib (Bot)   16  0.467390D+00         -0.330320         -0.760591
 Vib (Bot)   17  0.430072D+00         -0.366459         -0.843803
 Vib (Bot)   18  0.419926D+00         -0.376827         -0.867677
 Vib (Bot)   19  0.411980D+00         -0.385124         -0.886781
 Vib (Bot)   20  0.350229D+00         -0.455648         -1.049169
 Vib (Bot)   21  0.318201D+00         -0.497299         -1.145073
 Vib (Bot)   22  0.255318D+00         -0.592918         -1.365244
 Vib (Bot)   23  0.237370D+00         -0.624574         -1.438136
 Vib (V=0)       0.115563D+07          6.062818         13.960154
 Vib (V=0)    1  0.904103D+01          0.956218          2.201773
 Vib (V=0)    2  0.591640D+01          0.772058          1.777728
 Vib (V=0)    3  0.500804D+01          0.699668          1.611045
 Vib (V=0)    4  0.463905D+01          0.666429          1.534509
 Vib (V=0)    5  0.346926D+01          0.540236          1.243940
 Vib (V=0)    6  0.271694D+01          0.434080          0.999505
 Vib (V=0)    7  0.173322D+01          0.238855          0.549983
 Vib (V=0)    8  0.160456D+01          0.205357          0.472851
 Vib (V=0)    9  0.152147D+01          0.182264          0.419679
 Vib (V=0)   10  0.149483D+01          0.174593          0.402015
 Vib (V=0)   11  0.145607D+01          0.163184          0.375744
 Vib (V=0)   12  0.141939D+01          0.152100          0.350224
 Vib (V=0)   13  0.133203D+01          0.124515          0.286707
 Vib (V=0)   14  0.126619D+01          0.102498          0.236011
 Vib (V=0)   15  0.122845D+01          0.089358          0.205754
 Vib (V=0)   16  0.118444D+01          0.073512          0.169267
 Vib (V=0)   17  0.115952D+01          0.064277          0.148003
 Vib (V=0)   18  0.115295D+01          0.061809          0.142320
 Vib (V=0)   19  0.114786D+01          0.059890          0.137903
 Vib (V=0)   20  0.111046D+01          0.045502          0.104773
 Vib (V=0)   21  0.109266D+01          0.038487          0.088620
 Vib (V=0)   22  0.106142D+01          0.025885          0.059603
 Vib (V=0)   23  0.105348D+01          0.022628          0.052103
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.286832D+07          6.457627         14.869236
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           866555444444444333333322222111110000999998888887776665544443332222221      
     2        87663109877542210                           051510999986210977651084321964309841776539755329616419172118428542207975432
     3        47100140481677094                           688214982060363353409908732428977464722478554978355281185915938319228500684
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXX XXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X              XXX    XX                             X              X            XX X X                  XX                     
     X                X    X                              X              X            X  X X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003321    0.000001557   -0.000001837
      2        6          -0.000002768   -0.000002496   -0.000003269
      3        6          -0.000001158   -0.000002431    0.000000219
      4        6           0.000011513    0.000005212    0.000000872
      5        6          -0.000008156    0.000002405   -0.000000196
      6        6           0.000003995    0.000003986   -0.000000756
      7        6           0.000001382    0.000012073   -0.000005762
      8        6           0.000001388    0.000001951    0.000000595
      9        6           0.000001265   -0.000005127   -0.000000404
     10        6           0.000005557   -0.000000273    0.000000035
     11        6          -0.000013397   -0.000014004    0.000006066
     12        6           0.000003451    0.000002078    0.000005816
     13        8           0.000000120   -0.000001064   -0.000001362
     14        8          -0.000001811    0.000003700   -0.000005881
     15        1           0.000000443   -0.000000785    0.000001092
     16        1           0.000001767   -0.000000461    0.000000654
     17        1           0.000001582   -0.000001735    0.000000304
     18        1          -0.000001630   -0.000001367    0.000000024
     19        1          -0.000001435   -0.000003148    0.000003747
     20        1          -0.000003296   -0.000003116    0.000001059
     21        1           0.000001435   -0.000002146   -0.000003834
     22        1          -0.000000642    0.000002588    0.000000597
     23        1           0.000000172   -0.000000913    0.000000236
     24        1          -0.000000024   -0.000000065    0.000000979
     25        1          -0.000002550   -0.000000838    0.000000184
     26        1           0.000000322   -0.000000240   -0.000000068
     27        1           0.000001257    0.000000900    0.000001073
     28        1           0.000002953    0.000000409    0.000001112
     29        6          -0.000002643    0.000006267   -0.000006788
     30        1           0.000001747   -0.000002503    0.000001501
     31        1           0.000000826    0.000000266    0.000001842
     32        1          -0.000000020   -0.000000715    0.000001787
     33        1           0.000001678    0.000000035    0.000000360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014004 RMS     0.000003633
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216660D+03  0.912097D+01 -0.425430D+01
      2   0.912097D+01  0.135879D+03  0.719583D+01
      3  -0.425430D+01  0.719583D+01  0.149177D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.579340D+01 -0.170158D+01 -0.654699D+01
      2  -0.402392D+02 -0.141193D+02 -0.378170D+02
      3   0.253455D+02  0.563832D+02  0.743044D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.260225D+03 -0.673259D+02 -0.495099D+02
      2   0.139058D+03  0.649128D+02  0.223632D+01
      3   0.121167D+03  0.241303D+01  0.472736D+02
      4  -0.638090D+00 -0.104249D+03 -0.244630D+02
      5  -0.460928D+02 -0.221283D+02 -0.788370D+02
      6  -0.459982D+01 -0.235206D+02  0.192744D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883098D+01  0.209105D+01 -0.496018D+00 -0.113344D+00 -0.113457D+00
      2   0.209105D+01  0.749771D-01  0.364334D+00 -0.113457D+00 -0.355429D+01
      3  -0.496018D+00  0.364334D+00 -0.122172D+01  0.150548D+01 -0.145497D+01
                 6             7             8             9            10 
      1   0.150548D+01 -0.109574D+02 -0.931884D+00  0.146868D+00 -0.279519D+02
      2  -0.145497D+01 -0.931884D+00 -0.579417D-01  0.122493D+01 -0.289471D+01
      3   0.875122D+00  0.146868D+00  0.122493D+01 -0.150638D+01 -0.411709D+00
                11            12            13            14            15 
      1  -0.289471D+01 -0.411709D+00 -0.607158D+01 -0.472754D+01  0.123108D+01
      2  -0.185036D+01 -0.571136D+00 -0.472754D+01 -0.279385D+01  0.349524D+00
      3  -0.571136D+00 -0.262077D+01  0.123108D+01  0.349524D+00 -0.507896D+00
                16            17            18            19            20 
      1  -0.715668D+00  0.162629D+01 -0.928961D+00 -0.714625D+01 -0.226976D+01
      2   0.162629D+01  0.540998D+00 -0.142774D+00 -0.226976D+01  0.166882D+01
      3  -0.928961D+00 -0.142774D+00  0.157878D+01  0.274760D+00  0.129835D+01
                21            22            23            24            25 
      1   0.274760D+00 -0.719335D+01  0.216344D+00  0.474269D+00 -0.979184D+01
      2   0.129835D+01  0.216344D+00 -0.133499D+01 -0.154934D+01 -0.240870D+01
      3   0.767738D+00  0.474269D+00 -0.154934D+01  0.185225D+01  0.263270D+00
                26            27            28            29            30 
      1  -0.240870D+01  0.263270D+00  0.241236D+02  0.381029D+01 -0.113119D+01
      2  -0.121774D+01  0.119973D+01  0.381029D+01  0.229829D+01  0.496420D-01
      3   0.119973D+01 -0.228512D+01 -0.113119D+01  0.496420D-01  0.239513D+01
                31            32            33            34            35 
      1   0.294764D+01  0.517070D+01 -0.133753D+01 -0.668202D+00 -0.104716D+01
      2   0.517070D+01  0.202101D+01 -0.753612D+00 -0.104716D+01 -0.152301D+01
      3  -0.133753D+01 -0.753612D+00  0.153441D+01  0.870814D+00  0.290284D+00
                36            37            38            39            40 
      1   0.870814D+00 -0.105727D+02 -0.249621D+01  0.106137D+01 -0.458415D+00
      2   0.290284D+00 -0.249621D+01 -0.215224D+00 -0.491988D+00  0.657384D+00
      3   0.917664D+00  0.106137D+01 -0.491988D+00  0.302823D+01 -0.162360D+01
                41            42            43            44            45 
      1   0.657384D+00 -0.162360D+01  0.119695D+02  0.771697D+00 -0.117223D+01
      2   0.358842D+01  0.187410D+01  0.771697D+00  0.690373D+00 -0.142115D+01
      3   0.187410D+01 -0.961854D+00 -0.117223D+01 -0.142115D+01  0.108642D+01
                46            47            48            49            50 
      1   0.877622D+01  0.224785D+01 -0.629298D+00  0.954639D+01 -0.606191D+00
      2   0.224785D+01 -0.145237D+01 -0.117603D+01 -0.606191D+00  0.108260D+01
      3  -0.629298D+00 -0.117603D+01 -0.194016D+01 -0.245811D+00  0.197940D+01
                51            52            53            54            55 
      1  -0.245811D+00  0.935341D+01  0.211782D+01  0.938551D+00  0.154277D+02
      2   0.197940D+01  0.211782D+01  0.127917D+01 -0.119897D+01 -0.738092D+00
      3  -0.324249D+01  0.938551D+00 -0.119897D+01  0.132530D+01  0.129389D+01
                56            57            58            59            60 
      1  -0.738092D+00  0.129389D+01 -0.444673D+01  0.438011D+01 -0.136675D+01
      2   0.132778D+01 -0.616644D+00  0.438011D+01  0.562149D+01  0.173148D+01
      3  -0.616644D+00  0.204184D+01 -0.136675D+01  0.173148D+01  0.961177D-01
                61            62            63            64            65 
      1   0.723648D+01 -0.957096D+00  0.402167D+01 -0.282417D+01  0.427788D+01
      2  -0.957096D+00  0.264655D+01  0.913968D+00  0.427788D+01 -0.709066D+00
      3   0.402167D+01  0.913968D+00 -0.423326D+01  0.355613D-01  0.125782D+01
                66            67            68            69            70 
      1   0.355613D-01  0.118144D+02 -0.166124D+01  0.228925D+01 -0.572888D+01
      2   0.125782D+01 -0.166124D+01 -0.410074D+01 -0.186772D+01  0.132241D+01
      3  -0.308750D+01  0.228925D+01 -0.186772D+01  0.404492D+00 -0.477089D+01
                71            72            73            74            75 
      1   0.132241D+01 -0.477089D+01 -0.329651D+01 -0.455654D+01  0.692118D+00
      2  -0.259424D+01  0.127219D+00 -0.455654D+01  0.106332D+01 -0.125133D+01
      3   0.127219D+00  0.566596D+01  0.692118D+00 -0.125133D+01  0.281825D+01
                76            77            78            79            80 
      1  -0.575463D+01  0.113025D+01 -0.167235D+01  0.154768D+01 -0.166889D+01
      2   0.113025D+01  0.180552D+01  0.247278D+01 -0.166889D+01  0.337951D+01
      3  -0.167235D+01  0.247278D+01 -0.104372D+01  0.382339D+01 -0.160242D+01
                81            82            83            84            85 
      1   0.382339D+01 -0.241439D+01 -0.394955D+01  0.396263D-01 -0.600027D+01
      2  -0.160242D+01 -0.394955D+01  0.657200D+00 -0.161858D+01  0.207064D+01
      3  -0.412898D+01  0.396263D-01 -0.161858D+01  0.343853D+01 -0.208205D+01
                86            87            88            89            90 
      1   0.207064D+01 -0.208205D+01  0.122701D+01 -0.173996D+01  0.494447D+01
      2   0.468552D+01  0.330486D+01 -0.173996D+01  0.324831D+01  0.277537D+00
      3   0.330486D+01 -0.207032D+00  0.494447D+01  0.277537D+00 -0.296054D+01
                91            92            93            94            95 
      1  -0.251355D+01  0.259645D+00 -0.715485D+00  0.379346D+01 -0.550283D+01
      2   0.259645D+00 -0.223635D+01  0.293356D+00 -0.550283D+01 -0.792471D+00
      3  -0.715485D+00  0.293356D+00 -0.132075D+01  0.985829D+00  0.124396D+01
                96            97            98            99           100 
      1   0.985829D+00  0.204157D+01  0.150097D+01 -0.225836D+01 -0.214262D+01
      2   0.124396D+01  0.150097D+01  0.278885D+01 -0.322712D+01 -0.214652D+00
      3  -0.262010D+01 -0.225836D+01 -0.322712D+01 -0.305817D+01  0.198626D+01
               101           102           103           104           105 
      1  -0.214652D+00  0.198626D+01 -0.321113D+00  0.171234D+01 -0.569664D+00
      2   0.119849D+01  0.621771D-03  0.171234D+01 -0.189669D+01 -0.153128D+00
      3   0.621771D-03 -0.976784D+00 -0.569664D+00 -0.153128D+00  0.182350D+01
               106           107           108           109           110 
      1   0.364378D+01 -0.149075D+01 -0.181524D+01  0.465982D+01 -0.116219D+01
      2  -0.149075D+01  0.704110D+00  0.196840D+01 -0.116219D+01  0.619050D+00
      3  -0.181524D+01  0.196840D+01  0.344413D+01 -0.362905D+01  0.255080D+00
               111           112           113           114           115 
      1  -0.362905D+01 -0.258592D+01  0.160460D+01  0.857661D+00 -0.826939D+01
      2   0.255080D+00  0.160460D+01 -0.158483D+01 -0.214898D+01  0.166248D+01
      3   0.229053D+01  0.857661D+00 -0.214898D+01 -0.183093D+01  0.378749D+01
               116           117           118           119           120 
      1   0.166248D+01  0.378749D+01 -0.630140D+00  0.148195D+01  0.131819D+01
      2  -0.305377D+01 -0.131752D+01  0.148195D+01 -0.261620D+01  0.183403D+00
      3  -0.131752D+01 -0.855565D+01  0.131819D+01  0.183403D+00  0.101211D+00
               121           122           123           124           125 
      1   0.195147D+01 -0.256991D+01  0.229815D+00  0.434256D+01 -0.118844D+01
      2  -0.256991D+01  0.277415D+01  0.108408D+01 -0.118844D+01  0.214989D+01
      3   0.229815D+00  0.108408D+01 -0.190063D+00  0.167285D+01 -0.181558D+01
               126           127           128           129           130 
      1   0.167285D+01 -0.206213D+01 -0.115477D+01 -0.170958D+01 -0.157037D+01
      2  -0.181558D+01 -0.115477D+01 -0.101721D+01 -0.103937D+01 -0.899521D+00
      3   0.431950D+01 -0.170958D+01 -0.103937D+01 -0.146571D+01 -0.149327D+01
               131           132           133           134           135 
      1  -0.899521D+00 -0.149327D+01 -0.198132D+01 -0.119593D+01 -0.211947D+01
      2  -0.157155D+01 -0.168261D+01 -0.119593D+01 -0.232253D+01 -0.277841D+01
      3  -0.168261D+01 -0.266830D+01 -0.211947D+01 -0.277841D+01 -0.550735D+01
               136           137           138           139           140 
      1   0.381185D+01 -0.324643D+00 -0.215146D+01 -0.639888D+00  0.178826D+00
      2  -0.324643D+00  0.476615D+00  0.213567D+00  0.178826D+00 -0.497181D+00
      3  -0.215146D+01  0.213567D+00  0.206040D+01  0.592590D+00 -0.518268D+00
               141           142           143           144           145 
      1   0.592590D+00 -0.268977D+01  0.698163D+00  0.281657D+01  0.216280D+01
      2  -0.518268D+00  0.698163D+00 -0.107479D+01 -0.117298D+01  0.126641D+01
      3  -0.160042D+01  0.281657D+01 -0.117298D+01 -0.515885D+01  0.182849D+01
               146           147           148           149           150 
      1   0.126641D+01  0.182849D+01  0.123617D+01  0.803715D+00  0.147310D+01
      2   0.998056D+00  0.109617D+01  0.803715D+00  0.121130D+01  0.156236D+01
      3   0.109617D+01  0.188378D+01  0.147310D+01  0.156236D+01  0.293783D+01
               151           152           153           154           155 
      1   0.186137D+01  0.117295D+01  0.232225D+01 -0.319181D+01  0.301209D+00
      2   0.117295D+01  0.216970D+01  0.275911D+01  0.301209D+00 -0.362437D+00
      3   0.232225D+01  0.275911D+01  0.645487D+01  0.259082D+01 -0.227737D+00
               156           157           158           159           160 
      1   0.259082D+01  0.161173D+00 -0.254909D+00 -0.505150D+00  0.306858D+01
      2  -0.227737D+00 -0.254909D+00  0.340401D+00  0.536223D+00 -0.754251D+00
      3  -0.299745D+01 -0.505150D+00  0.536223D+00  0.171212D+01 -0.330791D+01
               161           162           163           164           165 
      1  -0.754251D+00 -0.330791D+01 -0.212992D+01 -0.742830D-01  0.171943D+01
      2   0.100806D+01  0.112899D+01 -0.742830D-01 -0.659756D+00  0.583037D+00
      3   0.112899D+01  0.669457D+01  0.171943D+01  0.583037D+00 -0.164287D+01
               166           167           168           169           170 
      1   0.158426D+01 -0.756349D+00  0.316262D+00  0.359416D+01  0.751932D+00
      2  -0.756349D+00 -0.985995D+00  0.818827D+00  0.751932D+00  0.118927D+01
      3   0.316262D+00  0.818827D+00 -0.230653D+00 -0.220281D+01 -0.145182D+01
               171           172           173           174           175 
      1  -0.220281D+01 -0.171803D+01 -0.141001D+01 -0.657061D+00 -0.316633D+01
      2  -0.145182D+01 -0.141001D+01 -0.858548D+00  0.290852D-02 -0.263761D+01
      3   0.576903D+01 -0.657061D+00  0.290852D-02 -0.289134D+00 -0.280565D+00
               176           177           178           179           180 
      1  -0.263761D+01 -0.280565D+00 -0.412675D+01 -0.788691D+00 -0.114416D+01
      2  -0.849168D+01 -0.987950D+00 -0.788691D+00 -0.219161D+01 -0.132532D+01
      3  -0.987950D+00 -0.844213D+00 -0.114416D+01 -0.132532D+01 -0.453504D+00
               181           182           183           184           185 
      1   0.175298D+01 -0.709331D+00 -0.144887D+01 -0.139717D+01  0.325429D+00
      2  -0.709331D+00  0.457809D+00 -0.269732D+00  0.325429D+00  0.579274D+00
      3  -0.144887D+01 -0.269732D+00  0.135353D+01 -0.190608D+00 -0.806275D+00
               186           187           188           189           190 
      1  -0.190608D+00 -0.224076D+01 -0.221166D+00  0.104883D+01 -0.144935D+01
      2  -0.806275D+00 -0.221166D+00 -0.986266D+00  0.211793D-01  0.987822D+00
      3   0.130924D+00  0.104883D+01  0.211793D-01 -0.689203D+01  0.148693D+01
               191           192           193           194           195 
      1   0.987822D+00  0.148693D+01  0.525213D+00 -0.611239D+00 -0.440453D-01
      2  -0.921302D+00 -0.315911D+00 -0.611239D+00  0.422281D+00  0.754029D+00
      3  -0.315911D+00 -0.185966D+01 -0.440453D-01  0.754029D+00  0.370060D+00
               196           197           198           199           200 
      1   0.235653D+01 -0.588120D+00 -0.226149D+01 -0.412092D+01  0.322139D+01
      2  -0.588120D+00  0.164093D+01  0.150338D+01  0.322139D+01 -0.286995D+01
      3  -0.226149D+01  0.150338D+01  0.614963D+01 -0.152714D+01  0.100119D+01
               201           202           203           204           205 
      1  -0.152714D+01  0.291852D+01 -0.306732D+01  0.121137D+01 -0.264760D+01
      2   0.100119D+01 -0.306732D+01  0.455676D+01 -0.190179D+01  0.183095D+01
      3  -0.140270D+01  0.121137D+01 -0.190179D+01  0.130814D+01 -0.205488D+01
               206           207           208           209           210 
      1   0.183095D+01 -0.205488D+01  0.812899D+01  0.164566D+01  0.217629D+00
      2  -0.294753D+01  0.187545D+01  0.164566D+01  0.255193D+01  0.157449D+00
      3   0.187545D+01 -0.182332D+01  0.217629D+00  0.157449D+00  0.479177D+00
               211           212           213           214           215 
      1   0.120312D+01  0.179417D+01  0.112723D+00  0.334457D+00  0.757165D-01
      2   0.179417D+01  0.206411D+01 -0.153105D+00  0.757165D-01 -0.398976D+00
      3   0.112723D+00 -0.153105D+00  0.523504D+00  0.261880D+00  0.691102D+00
               216           217           218           219           220 
      1   0.261880D+00 -0.319860D+01 -0.108331D+00  0.193577D+01  0.384051D+00
      2   0.691102D+00 -0.108331D+00 -0.587925D+00  0.392519D+00 -0.105240D+01
      3   0.371297D+00  0.193577D+01  0.392519D+00 -0.190064D+01  0.344144D+00
               221           222           223           224           225 
      1  -0.105240D+01  0.344144D+00  0.437920D+01  0.914581D+00 -0.321973D+01
      2  -0.815116D+00  0.552934D+00  0.914581D+00  0.109202D+01 -0.628830D+00
      3   0.552934D+00 -0.183431D+00 -0.321973D+01 -0.628830D+00  0.525593D+01
               226           227           228           229           230 
      1  -0.214873D+00 -0.996775D+00 -0.492890D+00 -0.240133D+01 -0.249895D+01
      2  -0.996775D+00 -0.517933D+00 -0.944447D-01 -0.249895D+01 -0.776306D+01
      3  -0.492890D+00 -0.944447D-01 -0.426058D+00 -0.701933D+00 -0.244081D+01
               231           232           233           234           235 
      1  -0.701933D+00 -0.120939D+01 -0.629273D+00 -0.130302D+01 -0.649889D+01
      2  -0.244081D+01 -0.629273D+00 -0.248025D+01 -0.178301D+01  0.197959D+01
      3  -0.173909D+01 -0.130302D+01 -0.178301D+01 -0.142179D+01 -0.261253D+01
               236           237           238           239           240 
      1   0.197959D+01 -0.261253D+01  0.476332D+01 -0.210220D+01  0.170745D+01
      2  -0.122123D+01  0.862187D+00 -0.210220D+01  0.172958D+01 -0.149491D+01
      3   0.862187D+00 -0.201054D+01  0.170745D+01 -0.149491D+01  0.149186D+01
               241           242           243           244           245 
      1  -0.424135D+01  0.103122D+01 -0.328343D+01  0.137063D-01  0.324914D+00
      2   0.103122D+01 -0.153311D+01  0.996550D+00  0.324914D+00  0.738381D+00
      3  -0.328343D+01  0.996550D+00 -0.261173D+01  0.177661D+01  0.384211D+00
               246           247           248           249           250 
      1   0.177661D+01  0.428182D+00  0.132831D+01  0.520786D+00  0.286645D+01
      2   0.384211D+00  0.132831D+01  0.172656D+01  0.122705D+01  0.668468D+00
      3   0.109308D+01  0.520786D+00  0.122705D+01  0.170651D+01  0.173261D+01
               251           252           253           254           255 
      1   0.668468D+00  0.173261D+01 -0.775735D+01 -0.527354D+01  0.757113D+00
      2   0.164177D+01  0.162477D+01 -0.527354D+01  0.167571D+01  0.472893D+00
      3   0.162477D+01  0.519094D+01  0.757113D+00  0.472893D+00  0.908513D+00
               256           257           258           259           260 
      1  -0.209750D+01  0.322927D+01 -0.542223D+00 -0.287219D+01 -0.106411D+01
      2   0.322927D+01 -0.618393D+00 -0.198509D+01 -0.106411D+01 -0.337916D+01
      3  -0.542223D+00 -0.198509D+01  0.268219D+01  0.215337D+01  0.268908D+01
               261           262           263           264           265 
      1   0.215337D+01  0.350343D+01 -0.276982D+01  0.829019D+00 -0.365774D+01
      2   0.268908D+01 -0.276982D+01  0.285855D+01 -0.560834D+00  0.392205D+01
      3   0.265010D+01  0.829019D+00 -0.560834D+00  0.796997D+00 -0.755958D+00
               266           267           268           269           270 
      1   0.392205D+01 -0.755958D+00 -0.836646D+00  0.858624D+00  0.401902D+00
      2  -0.565893D+01  0.102467D+01  0.858624D+00 -0.940263D+00 -0.440486D+00
      3   0.102467D+01 -0.121867D+01  0.401902D+00 -0.440486D+00  0.371618D+00
               271           272           273           274           275 
      1  -0.146697D+01  0.212975D+01  0.114679D+00  0.187726D+01 -0.154112D+01
      2   0.212975D+01 -0.334347D+01  0.238728D+00 -0.154112D+01  0.662201D+01
      3   0.114679D+00  0.238728D+00 -0.787511D+00 -0.467347D-01  0.113209D-01
               276           277           278           279           280 
      1  -0.467347D-01  0.781101D+00  0.239957D-01 -0.556143D+00  0.340738D+00
      2   0.113209D-01  0.239957D-01  0.141852D+01  0.581502D+00  0.186765D+00
      3   0.663949D+00 -0.556143D+00  0.581502D+00  0.193524D-01 -0.914316D+00
               281           282           283           284           285 
      1   0.186765D+00 -0.914316D+00 -0.606419D+00 -0.554476D+00  0.567192D-01
      2  -0.467725D+00  0.390297D-01 -0.554476D+00 -0.874431D+00 -0.347153D+00
      3   0.390297D-01 -0.766242D+00  0.567192D-01 -0.347153D+00 -0.117489D+01
               286           287           288           289           290 
      1  -0.155026D+01 -0.311989D+00  0.365579D-01  0.117682D+02  0.489102D+01
      2  -0.311989D+00 -0.125310D+01  0.327376D-01  0.489102D+01  0.324207D+01
      3   0.365579D-01  0.327376D-01 -0.615701D+01 -0.143166D+01 -0.912765D+00
               291           292           293           294           295 
      1  -0.143166D+01  0.334749D+01  0.263314D+01 -0.450301D+00 -0.764346D-01
      2  -0.912765D+00  0.263314D+01  0.250321D+01 -0.281897D+00 -0.418556D-01
      3   0.125928D+01 -0.450301D+00 -0.281897D+00  0.150784D+00  0.115535D+01
               296           297 
      1  -0.418556D-01  0.115535D+01
      2   0.366245D+00  0.400468D+00
      3   0.400468D+00 -0.511399D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.188874D+01  0.597106D+00 -0.238502D+01  0.545818D+01  0.585711D+00
      2  -0.125005D+02  0.235835D+01  0.846244D+01  0.391994D+01 -0.279810D+00
      3  -0.341036D+01 -0.344971D+01 -0.391578D+01  0.119276D+02  0.446513D-01
                 6             7             8             9            10 
      1  -0.301972D+01 -0.434772D+01  0.216671D+01  0.776729D+00 -0.483245D+01
      2  -0.328485D+00  0.314245D+01 -0.132702D+01 -0.403895D+01  0.174031D+02
      3  -0.352319D+01 -0.178007D+01  0.727008D+00  0.433038D+01  0.255192D+01
                11            12            13            14            15 
      1   0.415142D+00  0.162978D+01  0.743664D+00 -0.445094D+01 -0.706066D+01
      2   0.135076D+01 -0.259323D+01 -0.512259D+00  0.159572D+01 -0.217618D+01
      3   0.122449D+01  0.924413D+00  0.122449D+02 -0.620024D+00 -0.969560D+00
                16            17            18            19            20 
      1   0.833006D+01  0.703288D-01  0.361075D+01 -0.526365D+00 -0.880029D+00
      2  -0.211906D+02 -0.177205D+01  0.336734D+01  0.792495D+01  0.267219D+01
      3   0.560554D+01 -0.161671D+01 -0.344013D+01 -0.449958D+01 -0.118405D+01
                21            22            23            24            25 
      1   0.281968D+00 -0.703713D+01 -0.369724D+01 -0.200054D+01  0.105780D+01
      2   0.533791D+01  0.729537D+01  0.352186D+01  0.135791D+01  0.190170D+01
      3  -0.659154D+00  0.112339D+02  0.266652D+01  0.246317D+01 -0.493043D+01
                26            27            28            29            30 
      1   0.236661D+01 -0.154533D+01  0.217687D+01  0.247512D+01  0.391006D+01
      2   0.140696D+01  0.139867D+01 -0.137321D+02 -0.351241D+01 -0.914097D+00
      3  -0.122023D+00 -0.154207D+01 -0.335476D+01 -0.416017D+00  0.158903D+01
                31            32            33            34            35 
      1   0.606266D+01 -0.175896D+01 -0.766122D+01  0.607245D+01  0.890186D-01
      2  -0.581852D+01 -0.531686D+01 -0.129114D+01 -0.214344D+02 -0.227445D+01
      3   0.830801D+01  0.442772D+01 -0.367519D-02  0.264436D+01  0.243226D+01
                36            37            38            39            40 
      1   0.362256D+01 -0.364981D+01 -0.245988D+00 -0.120640D+01  0.409005D+01
      2   0.250486D+01  0.623824D+01  0.489777D+01  0.503357D+01  0.425875D+01
      3  -0.334823D+01 -0.190926D+01 -0.274677D+01 -0.353983D+01  0.100834D+02
                41            42            43            44            45 
      1   0.376637D+01 -0.108230D+01 -0.515229D+00  0.235634D+01 -0.642668D-01
      2   0.888969D+00 -0.370095D+00 -0.130520D+02 -0.282235D+01  0.213645D+00
      3  -0.101517D+01 -0.396157D+01  0.762968D+00 -0.109695D+01  0.324380D+01
                46            47            48            49            50 
      1   0.447464D+01 -0.173872D+01 -0.810033D+00 -0.595776D+01 -0.120645D+01
      2  -0.753280D+01 -0.186842D+01  0.428877D+01 -0.502962D+01  0.428782D+00
      3  -0.422669D+01 -0.132602D+01 -0.536385D+00  0.909422D+01  0.277976D+01
                51            52            53            54            55 
      1  -0.219011D+01  0.425467D+01  0.336891D+01 -0.284306D+00  0.428434D+01
      2   0.300203D+01 -0.944892D+01 -0.134792D+01 -0.563587D+00 -0.907200D+01
      3   0.343173D+01 -0.588761D+01  0.535560D+00 -0.137603D+01 -0.119699D+02
                56            57            58            59            60 
      1  -0.123997D+01  0.146006D+01 -0.335470D+01  0.637321D+01 -0.166679D+01
      2   0.149091D+01 -0.291211D+01  0.486913D+01 -0.997544D+01 -0.376189D+00
      3   0.183477D+01 -0.249038D+01  0.258331D+02  0.140628D+02  0.766741D+01
                61            62            63            64            65 
      1   0.498438D+01  0.390345D+01 -0.553602D+01 -0.452754D+01  0.586335D+00
      2  -0.250147D+02 -0.278456D+01  0.152184D+02  0.440125D+01 -0.377538D+01
      3  -0.893304D+01  0.902940D+01 -0.235112D+01  0.235244D+02 -0.770728D+01
                66            67            68            69            70 
      1  -0.236948D+00  0.439895D+00  0.121536D+01 -0.181922D+01 -0.402422D+01
      2   0.170525D+02 -0.102257D+02  0.924457D+01  0.787482D-01  0.177020D+02
      3   0.562880D+01 -0.679436D+01 -0.156333D+02 -0.823633D+01  0.110949D+02
                71            72            73            74            75 
      1   0.521602D+01 -0.675906D+00 -0.464592D+00  0.291461D+01 -0.555333D+01
      2  -0.755066D+00 -0.285537D+02 -0.173461D+01  0.668260D+01 -0.933792D+01
      3  -0.104124D+02  0.246740D+01 -0.271078D+02 -0.838751D+01 -0.470491D+01
                76            77            78            79            80 
      1   0.344982D+01 -0.688239D+01  0.191606D+00 -0.762532D+01  0.651470D+01
      2   0.843377D+01 -0.982786D+01  0.457798D+01 -0.179152D+02  0.680485D+01
      3  -0.219761D+01  0.819429D+01  0.711486D+01 -0.616807D+01  0.999593D+01
                81            82            83            84            85 
      1   0.797201D+01  0.249417D+01 -0.120663D+01  0.337465D+01 -0.250360D+01
      2   0.166579D+02 -0.250854D+01  0.686517D+01 -0.173898D+02  0.873386D+01
      3  -0.132326D+01 -0.205405D+02  0.456426D+01 -0.916982D+01  0.211738D+02
                86            87            88            89            90 
      1  -0.248724D+00 -0.373444D+01  0.522764D+01  0.448973D+00 -0.175334D+01
      2  -0.184177D+02 -0.107789D+01 -0.325815D+02 -0.333062D+01  0.190682D+02
      3   0.265032D+02  0.207934D+02 -0.990282D+01  0.194134D+02 -0.224450D+01
                91            92            93            94            95 
      1  -0.176753D+01 -0.226402D+00  0.215111D+01  0.110747D+01 -0.814616D+00
      2  -0.116292D+00  0.788998D+00  0.442383D+00  0.174830D+01  0.590332D+01
      3  -0.994798D+01  0.164373D+01 -0.514496D+00  0.315574D+02 -0.106727D+01
                96            97            98            99           100 
      1  -0.101050D+01  0.556659D+01  0.756581D+01  0.279417D+01  0.202503D+01
      2  -0.957266D+01 -0.152397D+02 -0.116300D+02 -0.107578D+02  0.168925D+01
      3  -0.452491D+01 -0.160275D+01 -0.663235D+01  0.814478D+01  0.215703D+02
               101           102           103           104           105 
      1   0.310329D+01 -0.549440D+01 -0.523922D+00  0.116618D+01 -0.370881D+01
      2  -0.419039D+00  0.263861D+00 -0.167738D+00 -0.147558D+01  0.143271D+02
      3  -0.981698D+01  0.164480D+01 -0.179513D+01 -0.574109D+01 -0.719386D+00
               106           107           108           109           110 
      1  -0.407374D+01 -0.448260D+01  0.159400D+01 -0.188956D+01 -0.319327D+01
      2  -0.610637D+01  0.854491D+01  0.174744D+02 -0.108766D+02  0.983696D+00
      3   0.699070D+01 -0.597434D+01 -0.677854D+01 -0.181554D+01 -0.467743D+01
               111           112           113           114           115 
      1   0.265281D+01 -0.727948D+00  0.557376D+00 -0.282631D+01  0.473232D+00
      2   0.110978D+02 -0.707197D+00 -0.834499D+01 -0.971371D+01  0.532306D+01
      3  -0.455239D+00 -0.466036D+01  0.962984D+01  0.869839D+01 -0.887284D+01
               116           117           118           119           120 
      1   0.786449D+01 -0.618385D+01  0.300431D+01 -0.142431D+01  0.823450D+00
      2  -0.431017D+01 -0.360074D+02  0.602226D+01 -0.964685D+00  0.246405D+01
      3   0.134334D+02  0.612361D+01 -0.717175D+01  0.705600D+01 -0.242854D+01
               121           122           123           124           125 
      1  -0.186515D+01  0.273957D+01 -0.227515D+01 -0.296974D+01  0.684046D+01
      2   0.121899D+01  0.681016D+01 -0.252424D+01 -0.440529D+00 -0.459274D+01
      3   0.864379D+01 -0.658554D+01 -0.461975D+01  0.430605D+01 -0.847608D+01
               126           127           128           129           130 
      1   0.471324D+01 -0.590275D+00  0.133417D+01 -0.485961D+00 -0.759675D+00
      2   0.175775D+02 -0.382497D+01 -0.660614D+00 -0.698645D+00 -0.185569D+01
      3   0.578120D+01  0.227567D+01 -0.162225D+00  0.743233D+00  0.306765D+01
               131           132           133           134           135 
      1   0.353438D+00 -0.308597D+01 -0.871258D+00  0.227487D+01 -0.247495D+01
      2   0.140293D+00  0.467581D+00 -0.336339D+01  0.321462D+00  0.177763D+01
      3  -0.829696D+00  0.333674D+00  0.195673D+01 -0.156499D+01 -0.298683D+00
               136           137           138           139           140 
      1  -0.119636D+01 -0.172886D+01  0.183562D+01  0.781631D-01  0.147134D+00
      2   0.655747D+01 -0.482521D+00 -0.109022D+01  0.630625D+00  0.681522D-01
      3  -0.304309D+01 -0.793012D+00  0.140907D+01  0.963162D+00  0.590173D+00
               141           142           143           144           145 
      1  -0.177197D+01  0.786540D+00  0.295525D+01 -0.112044D+01  0.137467D+01
      2  -0.891259D+00 -0.444152D+01  0.135637D+00 -0.102521D+01 -0.475942D+01
      3  -0.380739D+00  0.148501D+01  0.159737D+01 -0.913993D+00  0.877431D+00
               146           147           148           149           150 
      1   0.246475D+01  0.510668D+00  0.171932D+00  0.145217D+01 -0.143120D+01
      2  -0.154730D+01 -0.114428D+01 -0.262017D+01 -0.667144D+00 -0.484605D+00
      3  -0.699608D+00  0.678620D-01  0.193709D+01 -0.555565D+00 -0.160377D-01
               151           152           153           154           155 
      1   0.721934D+00  0.437641D+01  0.431199D+00  0.111084D+00 -0.209520D+01
      2  -0.393587D+01 -0.576015D+00  0.290584D+00  0.625358D+01 -0.469038D+00
      3   0.740428D+00 -0.206372D+01 -0.796713D+00 -0.117914D+01 -0.114120D+01
               156           157           158           159           160 
      1   0.658945D+00  0.674402D-01  0.521127D+00 -0.103059D+01 -0.148747D+01
      2  -0.105044D+01  0.662481D+00  0.342007D-01 -0.114749D+01 -0.553387D+01
      3   0.596564D+00  0.133078D+01  0.372278D+00  0.276503D-01  0.380603D-01
               161           162           163           164           165 
      1   0.394197D+01  0.124087D+01  0.203805D+01 -0.238097D+00 -0.182535D+01
      2   0.648304D+00 -0.844404D+00 -0.506001D+01 -0.182826D+01  0.582359D+01
      3   0.186424D+01 -0.350101D+00  0.269511D+01 -0.295278D+01 -0.182045D+00
               166           167           168           169           170 
      1   0.729165D+00  0.276073D+00 -0.828287D+00 -0.210194D+01  0.142383D+01
      2  -0.206280D+01 -0.179838D+01  0.226417D+00  0.121794D+01  0.387209D+01
      3  -0.158348D+01 -0.220371D+01  0.182555D+01 -0.163837D+01  0.351991D+01
               171           172           173           174           175 
      1   0.718465D+01 -0.137820D+01 -0.322153D+00 -0.966606D+00 -0.131105D+01
      2  -0.180341D+02  0.394456D+01  0.719891D+00  0.251681D+01  0.231002D+01
      3  -0.996747D+00 -0.193001D+01 -0.191828D+01  0.463601D+00 -0.164545D+01
               176           177           178           179           180 
      1  -0.478030D+01 -0.396792D+01 -0.190221D+01 -0.187852D+01 -0.141573D+01
      2   0.614018D+01  0.338847D+01  0.395427D+01  0.473609D+01  0.135801D+01
      3  -0.233713D+02 -0.234811D+01  0.189537D+01 -0.636845D+01 -0.250185D+01
               181           182           183           184           185 
      1   0.138897D+01 -0.113999D+01 -0.765249D-02 -0.401024D+00 -0.589140D+00
      2   0.997039D+01  0.479676D+00 -0.678523D+01 -0.171360D+00  0.372945D+01
      3  -0.290798D+01  0.114500D+01 -0.672073D+00  0.344797D+01  0.227451D+01
               186           187           188           189           190 
      1  -0.443381D+00 -0.363061D+00  0.301898D+01  0.441630D+00 -0.288221D+01
      2  -0.320486D+00 -0.106996D+02 -0.782306D-01  0.292078D+02 -0.551165D+01
      3  -0.305938D+01 -0.636765D+00 -0.322068D+01  0.171367D+00  0.242194D+01
               191           192           193           194           195 
      1  -0.270908D+00  0.367934D+01  0.890019D-01 -0.119209D+01 -0.162579D+01
      2   0.120118D+01  0.775461D+01  0.111801D+00 -0.263834D+01 -0.104344D+01
      3  -0.331694D+01  0.803825D+00 -0.339261D+00  0.582818D+00  0.262556D+01
               196           197           198           199           200 
      1   0.403350D+01  0.402350D+00 -0.121416D+02  0.283733D+01 -0.151503D+01
      2   0.494686D+01 -0.563832D+01 -0.247455D+02  0.609003D+01 -0.428738D+01
      3   0.173666D+01  0.685259D+01  0.304579D+01  0.587505D+01 -0.828905D+01
               201           202           203           204           205 
      1   0.403422D+01 -0.291672D+01  0.298322D+01 -0.410245D+01  0.401944D+01
      2   0.728261D+01 -0.471790D+01  0.795775D+01 -0.640835D+01  0.720340D+01
      3   0.150258D+01 -0.478445D+01  0.144870D+02 -0.537278D+01  0.241649D+01
               206           207           208           209           210 
      1  -0.183169D+01  0.403148D+01 -0.154981D+01 -0.391850D+00 -0.204538D+01
      2  -0.767771D+01  0.778708D+01 -0.224227D+01 -0.986454D+00 -0.803335D+00
      3  -0.992128D+01  0.443521D+01  0.263174D+02  0.117433D+02  0.135119D+01
               211           212           213           214           215 
      1  -0.697379D+00  0.488458D+00 -0.180830D+01 -0.183617D+01 -0.253615D-01
      2  -0.101196D+01  0.471991D+00 -0.957422D+00 -0.388536D+01 -0.228888D+01
      3   0.123218D+02  0.102148D+02 -0.349903D+00  0.167627D+01 -0.133289D+01
               216           217           218           219           220 
      1  -0.105272D+01  0.142813D+01 -0.946789D-01 -0.176835D+01  0.618352D+00
      2  -0.145945D+01 -0.117359D+02 -0.227241D+01  0.127459D+02 -0.181767D+01
      3   0.330286D+01  0.153550D+01 -0.427413D+01  0.736236D+00 -0.453214D+01
               221           222           223           224           225 
      1   0.577152D+00 -0.110907D+01 -0.231674D+01  0.153766D+01  0.410162D+01
      2  -0.328137D+01  0.129428D+01  0.167157D+02  0.362484D+01 -0.321027D+02
      3  -0.365882D+01  0.252005D+01  0.166035D+01  0.632122D+01 -0.817073D+00
               226           227           228           229           230 
      1   0.457740D+00  0.246552D+00 -0.348539D+00  0.789313D+00  0.366124D+01
      2   0.294879D+01 -0.116430D+00  0.251279D+01  0.166527D+01  0.125998D+02
      3  -0.560112D+01 -0.285813D+01 -0.238772D+00 -0.816880D+01 -0.407682D+02
               231           232           233           234           235 
      1  -0.226188D+01 -0.547123D+00  0.131293D+01 -0.574595D+00 -0.291671D+01
      2   0.982159D+01  0.485597D+01  0.940332D+01  0.684796D+01  0.100389D+02
      3  -0.127978D+02 -0.180852D+01 -0.134111D+02 -0.843443D+01  0.142846D+02
               236           237           238           239           240 
      1   0.208481D+01 -0.127633D+01  0.226475D+01 -0.278135D+01  0.791966D+00
      2  -0.359256D+01  0.117937D+02 -0.627187D+01  0.723120D+01 -0.823559D+01
      3  -0.102286D+02  0.645152D+01 -0.126704D+02  0.117711D+02 -0.933094D+01
               241           242           243           244           245 
      1  -0.227003D+01  0.317791D+01 -0.156551D+01 -0.198943D+01 -0.232010D-01
      2   0.141676D+02 -0.500661D+01  0.131064D+02  0.609781D+01  0.150493D+01
      3   0.776830D+01 -0.103279D+02  0.748027D+01 -0.988757D+00 -0.266527D+01
               246           247           248           249           250 
      1  -0.118935D+01 -0.418449D+00 -0.324342D+00 -0.233428D+01 -0.133548D+01
      2   0.340400D+01  0.140215D+01  0.319432D+01  0.555593D+01  0.735623D+00
      3   0.228360D+00 -0.213216D+01 -0.409664D+01 -0.310081D+01  0.356686D+00
               251           252           253           254           255 
      1   0.124750D+01 -0.527367D+01  0.338806D+01 -0.355025D+01 -0.430561D+01
      2   0.481298D+01  0.162221D+02 -0.550263D+01 -0.437004D+01  0.716483D+01
      3  -0.419440D+01 -0.380256D+01  0.189194D+01 -0.191165D+02 -0.167327D+00
               256           257           258           259           260 
      1  -0.715239D+00  0.743694D+01 -0.689980D+01 -0.395453D+01 -0.852657D+00
      2  -0.620781D+01 -0.546590D+01  0.953335D+01  0.665439D+01  0.101445D+02
      3  -0.151159D+02  0.762981D+01  0.641531D+01  0.107921D+01  0.977132D+01
               261           262           263           264           265 
      1  -0.111177D+02 -0.220904D+01  0.267973D+01  0.788758D+00  0.357857D+01
      2   0.113956D+02  0.129943D+00  0.276266D+00  0.291577D+01  0.432569D+00
      3  -0.620298D+01  0.719814D+01 -0.954718D+01  0.241728D+01 -0.106575D+02
               266           267           268           269           270 
      1  -0.497028D+01 -0.112804D+01  0.615373D+00 -0.629311D+00 -0.758874D+00
      2   0.411794D+00 -0.462191D+01  0.130984D+01 -0.194549D+01  0.603154D+00
      3   0.201984D+02 -0.325641D+01 -0.254189D+01  0.353805D+01  0.146253D+01
               271           272           273           274           275 
      1  -0.265493D+01  0.264392D+01  0.315746D+01  0.192026D+01 -0.623439D+01
      2  -0.157704D+01  0.250557D+01 -0.147085D+01  0.187411D+01 -0.204792D+01
      3  -0.122523D+02  0.135684D+02  0.132979D+00  0.111588D+02 -0.234837D+02
               276           277           278           279           280 
      1  -0.325443D+01  0.217294D+01 -0.126496D+01 -0.968393D+00  0.276872D+01
      2   0.104029D+01 -0.236906D+01  0.125817D+01 -0.473704D+00 -0.424974D+01
      3  -0.439794D+00  0.216106D+01 -0.423040D+01 -0.309373D+01 -0.380273D+00
               281           282           283           284           285 
      1   0.117591D+01  0.210517D+01  0.113438D+01  0.385165D+01  0.265775D+01
      2  -0.526843D+00 -0.329778D+01 -0.218620D+01 -0.193902D+01 -0.430585D+01
      3   0.131274D+01 -0.142894D+01  0.195177D+01  0.187176D+01  0.104523D+01
               286           287           288           289           290 
      1   0.119246D+01  0.439472D+01  0.143200D+02 -0.111605D+01 -0.119588D+01
      2  -0.411706D+01 -0.889083D+00 -0.199723D+02  0.471643D+01  0.500542D+00
      3  -0.159275D+01  0.303001D+01 -0.312358D+00  0.664623D+01 -0.435967D+01
               291           292           293           294           295 
      1  -0.314883D+01 -0.149330D+01 -0.181990D+01 -0.108251D+01 -0.239583D+01
      2   0.571050D+01  0.181727D+01  0.110385D+01  0.117528D+01  0.261476D+01
      3   0.815371D+00 -0.878347D+00 -0.410030D+01 -0.737159D-01 -0.792520D-01
               296           297 
      1   0.705725D-01  0.126917D+01
      2   0.762015D+00 -0.137568D+01
      3  -0.109498D+01  0.935907D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.457796D+01 -0.459140D+01 -0.202321D+02  0.875170D+01 -0.114097D+02
      2  -0.875103D+00 -0.673641D+00  0.365060D+01  0.796268D-01  0.184090D+02
      3   0.545306D+01  0.526504D+01  0.165815D+02 -0.883133D+01 -0.699929D+01
      4  -0.650032D+01 -0.363252D+01 -0.833766D+01  0.216641D+01 -0.111013D+01
      5  -0.195539D+02 -0.695697D+01  0.545753D+00 -0.705481D+01 -0.197331D+01
      6  -0.100164D+02 -0.532960D+00  0.171915D+00 -0.279652D+01  0.171903D+00
                 6             7             8             9            10 
      1  -0.325210D+01  0.261575D+02  0.115488D+02  0.154935D+02  0.501741D+02
      2   0.757689D+01 -0.582137D+01 -0.178957D+01 -0.608400D+01 -0.186140D+02
      3  -0.432480D+01 -0.203361D+02 -0.975927D+01 -0.940948D+01 -0.315601D+02
      4  -0.108861D+01  0.464340D+01  0.211448D+01 -0.349509D+01  0.298905D+01
      5  -0.688337D+01  0.134795D+02 -0.349604D+01 -0.486408D+01  0.772519D+01
      6   0.166332D+01 -0.529782D+01 -0.427477D+01 -0.117075D+02  0.677503D+00
                11            12            13            14            15 
      1   0.370419D+01  0.452630D+01  0.135691D+01 -0.295712D+01 -0.797068D+01
      2  -0.134244D+00  0.246220D+01  0.311758D+01  0.798744D+01  0.256390D+01
      3  -0.356994D+01 -0.698850D+01 -0.447449D+01 -0.503032D+01  0.540678D+01
      4   0.192369D+01  0.305607D+01  0.138800D+02  0.338391D+01 -0.137637D+00
      5   0.406196D+01  0.635328D+01 -0.976325D+01  0.516426D+00  0.161860D+01
      6   0.394534D+00  0.200611D+01 -0.743801D+01 -0.532348D+01  0.855357D+01
                16            17            18            19            20 
      1   0.101767D+02 -0.832937D+01 -0.196345D+02  0.371934D+01  0.119519D+02
      2  -0.599541D+01 -0.376443D+01  0.214450D+01  0.522700D+01 -0.832029D+01
      3  -0.418129D+01  0.120938D+02  0.174900D+02 -0.894634D+01 -0.363158D+01
      4  -0.128408D+02 -0.440534D+00 -0.264251D+01  0.255448D+01  0.547474D+01
      5  -0.153467D+02 -0.108845D+01 -0.170279D+01  0.197238D+02  0.336347D+01
      6  -0.421451D+01  0.160566D+01  0.630102D+01  0.709991D+01 -0.162130D+01
                21            22            23            24            25 
      1   0.210590D+02 -0.725963D+01 -0.216705D+01  0.158269D+02 -0.192196D+02
      2  -0.901166D+01 -0.296455D+01  0.609259D+01 -0.168549D+00  0.301567D+01
      3  -0.120473D+02  0.102242D+02 -0.392554D+01 -0.156583D+02  0.162039D+02
      4   0.456731D+01  0.760068D+01 -0.609086D+01 -0.132110D+00 -0.215372D+01
      5  -0.474108D+01  0.964783D+01  0.172502D+01  0.680281D+00  0.984810D+01
      6  -0.544841D+01  0.353680D+01 -0.640696D+00  0.384066D+01  0.123893D+02
                26            27            28            29            30 
      1   0.436408D+01  0.737991D+01  0.654978D+01  0.143119D+01 -0.233298D+01
      2  -0.812283D+00  0.111369D+01  0.691385D+00  0.500525D+00 -0.125063D+01
      3  -0.355180D+01 -0.849360D+01 -0.724116D+01 -0.193172D+01  0.358361D+01
      4   0.766322D-02  0.732897D+01  0.519375D+01  0.409572D+01  0.558642D+00
      5   0.634013D+01  0.616457D+01 -0.821822D+00  0.452997D+00  0.726049D+01
      6   0.549162D+01 -0.760048D+01 -0.644664D+01  0.195617D+01  0.195565D+01
                31            32            33            34            35 
      1  -0.918845D+01 -0.275307D+01 -0.815846D+01  0.563166D+01 -0.604290D+01
      2   0.714560D+01  0.535245D+01  0.281041D+00 -0.649467D+01 -0.647519D+01
      3   0.204285D+01 -0.259937D+01  0.787742D+01  0.863011D+00  0.125181D+02
      4   0.164739D+02  0.723271D-01 -0.323875D+01 -0.115238D+02 -0.661771D+01
      5  -0.137925D+02 -0.291868D+01  0.293449D+01 -0.161131D+02 -0.957518D+00
      6  -0.202924D+01 -0.381826D+01  0.778792D+01 -0.745009D+01  0.979370D+00
                36            37            38            39            40 
      1  -0.237233D+02  0.104747D+02 -0.247601D+01 -0.250358D+02  0.617552D+01
      2   0.532785D+01 -0.880460D+01 -0.146814D+01  0.343841D+01  0.368238D+01
      3   0.183955D+02 -0.167013D+01  0.394415D+01  0.215974D+02 -0.985791D+01
      4  -0.411102D+00 -0.922133D+01 -0.499954D+01 -0.881344D+01  0.832333D+01
      5   0.164229D+01 -0.980571D+01 -0.616514D+01 -0.424219D+01 -0.494648D+01
      6   0.723014D+01 -0.680208D+01  0.325614D+00 -0.365978D+01 -0.228297D+01
                41            42            43            44            45 
      1  -0.995461D+01  0.354640D+00  0.169400D+02  0.993339D+01  0.113617D+02
      2   0.137840D+02  0.734655D+01  0.129982D+00  0.186638D+01 -0.584322D+01
      3  -0.382939D+01 -0.770119D+01 -0.170700D+02 -0.117998D+02 -0.551850D+01
      4   0.314494D-01 -0.975869D+00  0.112730D+01  0.449260D+01 -0.448375D+01
      5  -0.727815D+00 -0.108947D+02  0.822929D+01 -0.511603D+01 -0.385607D+01
      6   0.349176D+01  0.521092D+01 -0.757083D+01 -0.334308D+01 -0.135847D+02
                46            47            48            49            50 
      1  -0.642190D+01  0.764488D+01  0.205895D+02 -0.234934D+02 -0.399872D+01
      2   0.917288D+01 -0.331726D+01 -0.808168D+01  0.721320D+01  0.376133D+01
      3  -0.275097D+01 -0.432761D+01 -0.125078D+02  0.162802D+02  0.237392D+00
      4   0.425749D+00  0.738421D+01  0.420655D+01  0.105109D+02 -0.391938D+01
      5   0.124292D+02  0.999903D+00 -0.951264D+01  0.475118D+01 -0.218242D+01
      6   0.462029D+01 -0.340964D+01 -0.731529D+01  0.107112D+01 -0.162454D+01
                51            52            53            54            55 
      1   0.207207D+02 -0.289300D+02  0.388289D+01  0.105068D+01 -0.480735D+02
      2   0.768162D+00  0.421728D+01  0.226667D+00  0.352417D+01  0.210503D+02
      3  -0.214888D+02  0.247127D+02 -0.410956D+01 -0.457486D+01  0.270233D+02
      4  -0.290067D+00 -0.434762D+01 -0.819993D+00  0.607016D+01  0.970210D+01
      5   0.226433D+01  0.150062D+01  0.541773D+01  0.825879D+01 -0.892264D+01
      6   0.923127D+01  0.102442D+02  0.679058D+01 -0.106543D+02 -0.230054D+01
                56            57            58            59            60 
      1   0.106041D+02 -0.724491D+01  0.433915D+02 -0.202552D+01  0.124125D+02
      2  -0.618117D+01  0.755773D+00 -0.303530D+02 -0.161145D+02 -0.104247D+02
      3  -0.442291D+01  0.648914D+01 -0.130385D+02  0.181400D+02 -0.198787D+01
      4  -0.847888D+01  0.474077D+01 -0.262548D+02 -0.361166D+02 -0.113367D+02
      5   0.444755D+01 -0.146771D+02  0.113914D+02 -0.115933D+02 -0.580937D+00
      6   0.110192D+01 -0.368363D+01  0.448203D+00 -0.564061D+01 -0.815600D+00
                61            62            63            64            65 
      1  -0.340559D+02  0.103716D+02 -0.150014D+02 -0.135369D+02 -0.370887D+02
      2   0.917685D+01 -0.119464D+02  0.126252D+02  0.116903D+02  0.185026D+02
      3   0.248790D+02  0.157483D+01  0.237625D+01  0.184657D+01  0.185861D+02
      4   0.796117D+01 -0.166431D+02 -0.686146D+01 -0.404175D+02  0.488502D+01
      5  -0.317885D+02 -0.619736D+01  0.319194D+02 -0.362958D+01 -0.113985D+02
      6  -0.652178D+01 -0.326905D+01  0.877966D+01 -0.269157D+01 -0.192468D+01
                66            67            68            69            70 
      1  -0.843369D+01 -0.764209D+02  0.115499D+02 -0.144553D+02  0.137411D+02
      2  -0.485477D-01  0.402824D+02 -0.709994D+01  0.637068D+01 -0.753579D+01
      3   0.848223D+01  0.361385D+02 -0.444995D+01  0.808462D+01 -0.620531D+01
      4  -0.102103D+02  0.128128D+02  0.339268D+02  0.157868D+02 -0.133080D+02
      5   0.226429D+02 -0.217012D+02  0.169995D+02 -0.203730D+01  0.404575D+02
      6  -0.130354D+01  0.179278D+01 -0.285668D+00  0.369383D+00  0.240975D-01
                71            72            73            74            75 
      1  -0.969194D+01  0.440260D+02  0.359979D+02  0.335314D+02 -0.289780D+01
      2   0.312485D+01 -0.117471D+02 -0.293746D+02 -0.145395D+02 -0.365349D+01
      3   0.656708D+01 -0.322789D+02 -0.662333D+01 -0.189919D+02  0.655129D+01
      4   0.191523D+02 -0.125883D+01  0.290253D+02 -0.196920D+02  0.117134D+02
      5  -0.661075D+00 -0.422169D+02 -0.488237D+01  0.116774D+02 -0.235267D+02
      6   0.364019D+01  0.406149D+00  0.676512D+01 -0.431216D+01  0.110855D+02
                76            77            78            79            80 
      1   0.408727D+02 -0.159704D+02  0.620239D+01 -0.595684D+01  0.823716D+01
      2  -0.180818D+02  0.111119D+02  0.341036D+01 -0.539003D+01  0.395247D+01
      3  -0.227909D+02  0.485857D+01 -0.961274D+01  0.113469D+02 -0.121896D+02
      4  -0.229995D+02 -0.110508D+02 -0.232789D+02  0.154904D+02 -0.306889D+02
      5   0.148362D+02 -0.221504D+02  0.876077D+01 -0.336819D+02  0.143405D+02
      6  -0.759793D+01  0.114800D+02 -0.382561D+01  0.131534D+02 -0.748768D+01
                81            82            83            84            85 
      1  -0.256493D+02  0.224380D+02  0.420090D+02  0.921441D+00  0.596581D+02
      2   0.153974D+02 -0.617996D+01 -0.239536D+02  0.295517D+01 -0.356086D+02
      3   0.102520D+02 -0.162580D+02 -0.180554D+02 -0.387661D+01 -0.240495D+02
      4   0.210736D+02  0.449939D+02 -0.597340D+01  0.182962D+02 -0.206265D+02
      5   0.356822D+02 -0.270644D+01  0.202646D+02 -0.389104D+02  0.266922D+02
      6  -0.112752D+02  0.579276D+01 -0.914225D+00 -0.827851D+00 -0.500303D+01
                86            87            88            89            90 
      1  -0.764896D+01  0.266258D+02 -0.612924D+01  0.226275D+02 -0.527729D+02
      2  -0.814151D+00 -0.186626D+02  0.609187D+01 -0.161791D+02  0.266330D+02
      3   0.846311D+01 -0.796320D+01  0.373669D-01 -0.644842D+01  0.261399D+02
      4  -0.469563D+02 -0.345525D+02  0.203179D+02 -0.323804D+02 -0.313420D+01
      5  -0.371646D+02  0.323095D+01 -0.583961D+02 -0.160235D+01  0.311696D+02
      6  -0.118937D+02 -0.709149D+01 -0.235810D+01 -0.701707D+01  0.494376D+01
                91            92            93            94            95 
      1   0.122043D+02  0.146652D+02 -0.668942D+01  0.285989D+02 -0.134037D+02
      2  -0.391832D+01 -0.106661D+02  0.427410D+01 -0.184218D+02  0.478160D+01
      3  -0.828603D+01 -0.399907D+01  0.241532D+01 -0.101771D+02  0.862214D+01
      4   0.101246D+02 -0.933058D+01  0.144667D+00 -0.361543D+02 -0.351328D+01
      5  -0.583813D+01  0.607222D-01 -0.629548D+01  0.664100D+01  0.646786D+01
      6  -0.263661D+00  0.646231D+00 -0.506555D+01  0.453914D+01  0.651037D+01
                96            97            98            99           100 
      1  -0.233261D+01 -0.644268D+00 -0.404806D+01  0.105549D+01 -0.715110D+01
      2   0.405493D+01  0.629749D+01  0.977265D+01 -0.230172D+01  0.569730D+01
      3  -0.172232D+01 -0.565323D+01 -0.572459D+01  0.124623D+01  0.145380D+01
      4   0.638234D+01  0.755021D+01  0.145406D+02 -0.226142D+02  0.450907D+01
      5  -0.182359D+02 -0.137296D+02 -0.214287D+02 -0.228337D+02  0.156116D+02
      6  -0.884728D+01 -0.114151D+02 -0.116320D+02 -0.821782D+01 -0.122158D+01
               101           102           103           104           105 
      1  -0.393668D+01  0.963002D+01  0.821517D+01  0.146047D+02 -0.244214D+01
      2   0.381793D+01 -0.659623D+01 -0.785319D+01 -0.655054D+01  0.208573D+01
      3   0.118747D+00 -0.303378D+01 -0.361981D+00 -0.805418D+01  0.356405D+00
      4   0.591888D+01 -0.740162D+00  0.119288D+02 -0.534266D+01 -0.333053D+00
      5  -0.328334D+00 -0.140501D+02 -0.234562D+01  0.800060D-02  0.271579D+02
      6   0.602928D+00  0.789324D+01 -0.171890D+01  0.189690D+01 -0.659705D+01
               106           107           108           109           110 
      1   0.254532D+02 -0.586426D+01 -0.129884D+02  0.442752D+02 -0.890046D+01
      2  -0.124812D+02 -0.672410D-01  0.125406D+02 -0.255794D+02  0.373268D+01
      3  -0.129720D+02  0.593150D+01  0.447800D+00 -0.186959D+02  0.516778D+01
      4  -0.117189D+02  0.102263D+02  0.171892D+02 -0.148836D+02  0.124963D+02
      5  -0.301094D+02  0.169924D+02  0.303801D+02 -0.361842D+02  0.297981D+01
      6   0.972228D+01 -0.124021D+02 -0.561688D+01  0.690597D+01 -0.314173D+01
               111           112           113           114           115 
      1  -0.263138D+02 -0.136117D+02  0.143184D+01  0.123420D+00 -0.459637D+02
      2   0.174541D+02  0.414414D+01  0.424886D+01 -0.417370D+00  0.274982D+02
      3   0.885972D+01  0.946757D+01 -0.568070D+01  0.293950D+00  0.184655D+02
      4   0.535299D+01  0.199275D+02 -0.164963D+02 -0.178955D+02  0.182835D+02
      5   0.301331D+02  0.915052D+01 -0.183987D+02 -0.194169D+02  0.434513D+02
      6  -0.591217D+01 -0.393304D+01  0.858318D+01  0.146234D+02 -0.678307D+01
               116           117           118           119           120 
      1   0.464338D+01  0.116309D+02  0.406360D+01  0.662015D+01  0.144402D+02
      2  -0.155832D+01 -0.226832D+02 -0.100188D+02  0.328187D+01 -0.996844D+01
      3  -0.308506D+01  0.110523D+02  0.595516D+01 -0.990202D+01 -0.447177D+01
      4  -0.267372D+02 -0.119319D+02  0.137705D+02 -0.180837D+02 -0.122147D+01
      5  -0.117689D+02 -0.754391D+02  0.129753D+02  0.220581D+01  0.983877D+01
      6   0.142043D+02  0.196926D+02 -0.628112D+00 -0.167467D+01 -0.957808D+00
               121           122           123           124           125 
      1   0.148192D+02 -0.241584D+02  0.640610D+01  0.249864D+02 -0.178023D+00
      2   0.104217D+01  0.775942D+01 -0.456682D+01 -0.142835D+02 -0.256119D+01
      3  -0.158613D+02  0.163989D+02 -0.183928D+01 -0.107030D+02  0.273921D+01
      4  -0.204951D+02  0.249618D+02  0.755149D+01 -0.154032D+02  0.193218D+02
      5   0.231730D+00  0.699245D+01 -0.513028D+01  0.267748D+02 -0.158069D+02
      6  -0.127289D+01 -0.494394D+01  0.865834D+01 -0.686967D+01  0.139696D+02
               126           127           128           129           130 
      1   0.299293D+01  0.157116D+00 -0.264293D+01 -0.190118D+01 -0.782865D+00
      2  -0.124862D+02 -0.103871D+01  0.250445D+01 -0.407779D+00  0.111213D+00
      3   0.949325D+01  0.881590D+00  0.138474D+00  0.230896D+01  0.671653D+00
      4  -0.133258D+02  0.425037D+01  0.429332D+01  0.434432D+01  0.407306D+01
      5   0.399442D+02  0.780137D+01  0.464043D+01  0.840917D+01  0.581433D+01
      6  -0.138181D+02  0.541945D+01  0.436826D+01  0.576903D+01  0.464412D+01
               131           132           133           134           135 
      1  -0.768648D+01 -0.833048D+01 -0.331507D+01 -0.111371D+02 -0.191113D+02
      2   0.462147D+01  0.172177D+01 -0.148974D+01  0.478468D+01 -0.556411D+00
      3   0.306501D+01  0.660871D+01  0.480481D+01  0.635244D+01  0.196677D+02
      4   0.506734D+01  0.387924D+01  0.431526D+01  0.409816D+01  0.485077D+01
      5   0.558301D+01  0.768162D+01  0.972081D+01  0.650696D+01  0.144197D+02
      6   0.921122D+01  0.102338D+02  0.659922D+01  0.124339D+02  0.173976D+02
               136           137           138           139           140 
      1   0.470073D+01 -0.210810D+00  0.164313D+01  0.870434D+00 -0.237207D+01
      2  -0.579573D+01  0.434040D+00  0.371641D+01  0.842434D+00  0.280679D+00
      3   0.109500D+01 -0.223230D+00 -0.535954D+01 -0.171287D+01  0.209139D+01
      4  -0.488862D+01  0.296124D+01  0.261272D+01  0.223228D+01 -0.171189D+01
      5  -0.987965D+01  0.150652D+01  0.895273D+01  0.249421D+01 -0.244469D+01
      6   0.119317D+01 -0.200326D+01 -0.118254D+01 -0.179890D+01  0.269609D+01
               141           142           143           144           145 
      1  -0.457575D+01  0.395910D+01 -0.376431D+01 -0.140034D+02 -0.274784D+01
      2  -0.577989D+00  0.387998D+01  0.660241D+00 -0.699184D+01 -0.250320D+01
      3   0.515374D+01 -0.783908D+01  0.310407D+01  0.209953D+02  0.525104D+01
      4  -0.230345D+01  0.424501D+01 -0.440794D+01 -0.604877D+01  0.431470D+01
      5  -0.239932D+01  0.113622D+02 -0.286975D+01 -0.151588D+02  0.994461D+01
      6   0.373167D+01 -0.344591D+01  0.549339D+01  0.679021D+01  0.579228D+01
               146           147           148           149           150 
      1  -0.336219D+01 -0.525587D+01 -0.388302D+01 -0.812442D+01 -0.120982D+02
      2   0.893622D+00 -0.227434D+01 -0.853885D+00  0.190551D+01 -0.971691D+00
      3   0.246857D+01  0.753021D+01  0.473691D+01  0.621891D+01  0.130699D+02
      4   0.407952D+01  0.392028D+01  0.300489D+01  0.371490D+01  0.314981D+01
      5   0.551889D+01  0.116406D+02  0.636699D+01  0.544916D+01  0.899124D+01
      6   0.506064D+01  0.650709D+01  0.456322D+01  0.901505D+01  0.107790D+02
               151           152           153           154           155 
      1  -0.734921D+01 -0.123815D+02 -0.263199D+02  0.382709D+00 -0.359427D+00
      2  -0.284634D+01  0.135223D+01 -0.729658D+01 -0.844554D+01  0.947196D+00
      3   0.101955D+02  0.110293D+02  0.336165D+02  0.806283D+01 -0.587769D+00
      4   0.378547D+01  0.364751D+01  0.393055D+01 -0.350512D+01  0.294539D+01
      5   0.111867D+02  0.694703D+01  0.176020D+02 -0.155842D+02  0.214555D+01
      6   0.698178D+01  0.130453D+02  0.189999D+02  0.902312D+00 -0.289318D+01
               156           157           158           159           160 
      1   0.442602D+01  0.368965D+01 -0.239977D+01 -0.623999D+01  0.363959D+01
      2   0.843818D+01  0.618301D-01 -0.601535D+00 -0.233403D+01  0.927487D+01
      3  -0.128642D+02 -0.375148D+01  0.300131D+01  0.857401D+01 -0.129145D+02
      4   0.311540D+01  0.157351D+01 -0.130315D+01 -0.308873D+01  0.513753D+01
      5   0.164108D+02  0.233870D+01 -0.324860D+01 -0.386563D+01  0.168760D+02
      6  -0.302390D+00 -0.216381D+01  0.263519D+01  0.414985D+01 -0.305448D+01
               161           162           163           164           165 
      1  -0.312476D+01 -0.208703D+02  0.130410D+02 -0.564562D+00 -0.802504D+01
      2  -0.105267D+01 -0.155391D+02 -0.105544D+02  0.540011D+00  0.629395D+01
      3   0.417743D+01  0.364094D+02 -0.248666D+01  0.245511D-01  0.173109D+01
      4  -0.442416D+01 -0.605701D+01  0.326223D+01  0.654409D+01 -0.583891D+01
      5  -0.394068D+01 -0.250234D+02 -0.159506D+02 -0.506468D+01  0.167437D+02
      6   0.605726D+01  0.591981D+01 -0.388033D+01 -0.229161D+01  0.390093D+01
               166           167           168           169           170 
      1  -0.838564D+01 -0.972917D+00  0.712536D+00 -0.145342D+02  0.116772D+01
      2   0.476752D+01  0.150732D+01 -0.783104D+00  0.119140D+02  0.495966D+00
      3   0.361812D+01 -0.534404D+00  0.705686D-01  0.262019D+01 -0.166368D+01
      4   0.592220D+01  0.650620D+01 -0.566395D+01 -0.789445D+01 -0.866323D+01
      5  -0.230111D+01 -0.610581D+01  0.150395D+01  0.209492D+02  0.103424D+02
      6  -0.233022D+01 -0.250744D+01  0.542172D+01  0.636041D+01  0.753449D+01
               171           172           173           174           175 
      1  -0.441143D+01  0.693180D+01  0.725944D+01  0.377628D+01  0.794003D+01
      2  -0.111672D+02  0.136678D+01 -0.174805D+01 -0.122273D+01  0.471491D+01
      3   0.155786D+02 -0.829858D+01 -0.551139D+01 -0.255355D+01 -0.126549D+02
      4   0.103203D+02  0.102960D+02  0.120856D+02  0.790080D+00  0.229727D+02
      5  -0.418775D+02  0.470955D+01  0.137429D+00  0.393769D+01  0.137382D+01
      6  -0.143249D+02  0.172964D+01 -0.228593D-01  0.710863D+00  0.105535D+01
               176           177           178           179           180 
      1  -0.170482D+02 -0.173311D+01  0.160843D+02 -0.356699D+01  0.977485D-01
      2   0.377266D+02  0.420512D+01 -0.435739D+01  0.785283D+01  0.196959D+01
      3  -0.206784D+02 -0.247201D+01 -0.117269D+02 -0.428584D+01 -0.206733D+01
      4   0.522418D+02  0.611537D+01  0.634000D+01  0.140246D+02  0.830831D+01
      5   0.555096D+01  0.549959D+01  0.879061D+01  0.809998D+01  0.250756D+01
      6   0.283462D+01  0.536555D+01  0.311897D+01  0.728571D+01  0.271625D+01
               181           182           183           184           185 
      1  -0.122520D+02  0.463551D+01  0.145585D+02  0.949090D+01 -0.799381D+01
      2   0.146142D+01 -0.216837D+01 -0.319625D+01 -0.461797D+01  0.292137D+01
      3   0.107906D+02 -0.246714D+01 -0.113623D+02 -0.487293D+01  0.507244D+01
      4   0.546738D+01 -0.208534D+01  0.172342D+01 -0.285243D+00 -0.476524D+01
      5   0.792448D+01  0.158841D+01 -0.476012D+01  0.131883D+01  0.445183D+01
      6  -0.541719D+00 -0.644641D+00  0.332235D+00 -0.121838D+01 -0.210592D+00
               186           187           188           189           190 
      1   0.253168D+01  0.218718D+02  0.323529D+01 -0.289780D+02  0.126715D+02
      2  -0.116519D+01 -0.770510D+01 -0.179055D+01 -0.721001D+01 -0.678044D+01
      3  -0.136649D+01 -0.141667D+02 -0.144474D+01  0.361880D+02 -0.589104D+01
      4   0.490343D+01  0.248408D+01  0.654874D+01  0.663383D-01 -0.115296D+02
      5  -0.642017D+00 -0.232922D+01  0.381457D+00  0.463271D+02 -0.162264D+02
      6   0.656851D+01  0.202813D+00  0.385852D+01 -0.133709D+01  0.444764D+01
               191           192           193           194           195 
      1  -0.605196D+01 -0.124681D+02 -0.174704D+01  0.235771D+01 -0.234725D+01
      2   0.123285D+01  0.870238D+01 -0.644574D+00 -0.815269D+00  0.275784D+01
      3   0.481911D+01  0.376572D+01  0.239161D+01 -0.154244D+01 -0.410583D+00
      4   0.109553D+02  0.637554D+01  0.797337D+01 -0.451706D+01 -0.667422D+01
      5   0.360802D+01  0.195418D+02  0.296071D+00 -0.671416D+01 -0.303870D+01
      6  -0.173682D+01 -0.642222D+01 -0.176742D+01  0.264122D+01  0.612769D+01
               196           197           198           199           200 
      1  -0.180067D+02 -0.130563D+01  0.767732D+01  0.320496D+02 -0.201998D+02
      2   0.120587D+02  0.303642D+01 -0.141509D+02 -0.786378D+01  0.112648D+01
      3   0.594804D+01 -0.173079D+01  0.647359D+01 -0.241858D+02  0.190733D+02
      4   0.103859D+02 -0.145263D+02 -0.176130D+02 -0.384642D+02  0.343526D+02
      5   0.242815D+02 -0.134381D+02 -0.542236D+02  0.156894D+02 -0.982104D+01
      6  -0.857706D+01  0.881980D+01  0.206113D+02 -0.776020D+01  0.606490D+01
               201           202           203           204           205 
      1   0.111664D+02 -0.182040D+02  0.978999D+01 -0.344843D+01  0.175088D+02
      2  -0.327924D+01 -0.755093D+00  0.119408D+02 -0.365363D+01 -0.536809D+01
      3  -0.788716D+01  0.189590D+02 -0.217308D+02  0.710206D+01 -0.121407D+02
      4  -0.127256D+02  0.359169D+02 -0.459325D+02  0.184962D+02 -0.217462D+02
      5   0.147691D+02 -0.112025D+02  0.165207D+02 -0.119235D+02  0.204961D+02
      6  -0.726971D+01  0.758612D+01 -0.116188D+02  0.872426D+01 -0.101395D+02
               206           207           208           209           210 
      1  -0.518215D+01  0.946691D+01 -0.562870D+02 -0.226592D+02 -0.125383D+01
      2  -0.458634D+01 -0.382149D+01  0.330280D+02  0.197100D+02  0.121600D+01
      3   0.976850D+01 -0.564543D+01  0.232590D+02  0.294919D+01  0.378242D-01
      4   0.283772D+02 -0.197910D+02  0.611531D+01 -0.909533D+01 -0.173854D+01
      5  -0.166158D+02  0.170609D+02 -0.164277D+01 -0.240181D+01 -0.154402D+01
      6   0.115033D+02 -0.103464D+02 -0.147987D+01 -0.271441D+00  0.262086D+01
               211           212           213           214           215 
      1  -0.176346D+02 -0.204046D+02 -0.102767D+01 -0.162141D+01 -0.159564D+00
      2   0.150741D+02  0.188386D+02 -0.333199D-01  0.166697D+01 -0.482770D+00
      3   0.256057D+01  0.156602D+01  0.106099D+01 -0.455621D-01  0.642334D+00
      4  -0.247217D+01 -0.620453D+01  0.167159D+01 -0.994397D+00  0.336601D+01
      5  -0.133167D+01  0.109920D+01 -0.217473D+01  0.126414D+01 -0.414575D+01
      6   0.614527D+00 -0.634901D+00  0.312572D+01  0.190955D+01  0.431803D+01
               216           217           218           219           220 
      1  -0.476798D+01  0.416381D+02  0.146772D+01 -0.243208D+02 -0.444707D+01
      2   0.242350D+01 -0.221252D+02  0.850726D-01  0.120160D+02  0.378984D+01
      3   0.234448D+01 -0.195129D+02 -0.155279D+01  0.123048D+02  0.657224D+00
      4  -0.379456D+01  0.325596D+01  0.806367D+01 -0.575541D+01  0.132538D+02
      5  -0.370426D+01 -0.242220D+02 -0.505636D+01  0.250984D+02 -0.445858D+01
      6   0.956519D+00 -0.326110D+01 -0.562596D+00  0.260735D+01 -0.122026D+01
               221           222           223           224           225 
      1   0.860047D+01 -0.391215D+01 -0.507322D+02 -0.904980D+01  0.328608D+02
      2  -0.296563D+01  0.158314D+01  0.262684D+02  0.383702D+01 -0.205015D+02
      3  -0.563484D+01  0.232900D+01  0.244638D+02  0.521278D+01 -0.123592D+02
      4   0.899040D+01 -0.676068D+01 -0.119727D+02 -0.130972D+02  0.729928D+01
      5  -0.627147D+01  0.208241D+01  0.402972D+02  0.685254D+01 -0.607884D+02
      6  -0.583803D-01  0.386270D+01  0.381279D+01  0.404751D+01 -0.743511D+01
               226           227           228           229           230 
      1   0.272844D+01  0.115982D+02  0.602636D+01  0.223987D+02  0.473731D+01
      2   0.433825D+00 -0.473409D+01 -0.288086D+01 -0.738883D+01  0.136943D+02
      3  -0.316226D+01 -0.686409D+01 -0.314550D+01 -0.150099D+02 -0.184316D+02
      4   0.110843D+02  0.108368D+02  0.256578D+01  0.318343D+02  0.808084D+02
      5   0.612172D+01  0.292535D+01  0.668355D+01  0.973941D+01  0.268373D+02
      6   0.295991D+01  0.101620D+01  0.474095D+00  0.555142D+01  0.172383D+02
               231           232           233           234           235 
      1  -0.100024D+01  0.110054D+02 -0.174146D+01  0.619844D+01  0.806435D+02
      2   0.236257D+01 -0.604307D+01  0.236501D+01 -0.419644D+01 -0.461599D+02
      3  -0.136232D+01 -0.496228D+01 -0.623553D+00 -0.200200D+01 -0.344836D+02
      4   0.256073D+02  0.822721D+01  0.257492D+02  0.180754D+02 -0.234001D+02
      5   0.192384D+02  0.166376D+02  0.188481D+02  0.150114D+02  0.381583D+02
      6   0.106627D+02  0.358977D+01  0.108923D+02  0.744663D+01 -0.324038D+01
               236           237           238           239           240 
      1  -0.234746D+02  0.294898D+02 -0.511868D+02  0.191718D+02 -0.163669D+02
      2   0.134938D+02 -0.191906D+02  0.286538D+02 -0.984027D+01  0.119980D+02
      3   0.998078D+01 -0.102993D+02  0.225330D+02 -0.933149D+01  0.436891D+01
      4   0.166516D+02 -0.100509D+02  0.264462D+02 -0.212778D+02  0.173597D+02
      5  -0.119327D+02  0.288752D+02 -0.235652D+02  0.184441D+02 -0.191791D+02
      6   0.216912D+01 -0.664322D+00  0.471394D+01 -0.373804D+01  0.438604D+01
               241           242           243           244           245 
      1   0.439592D+02 -0.103367D+02  0.299645D+02  0.289625D+01  0.672438D+00
      2  -0.290167D+02  0.837379D+01 -0.233162D+02 -0.346239D+01  0.217196D-01
      3  -0.149425D+02  0.196290D+01 -0.664824D+01  0.566139D+00 -0.694158D+00
      4  -0.123040D+02  0.177052D+02 -0.114169D+02  0.496565D+01  0.712571D+01
      5   0.436164D+02 -0.126106D+02  0.334862D+02  0.137440D+02  0.426743D+01
      6  -0.167814D+01  0.460353D+01 -0.302605D+01  0.601617D+01  0.157907D+01
               246           247           248           249           250 
      1   0.820318D+01 -0.539732D+00 -0.611588D+00 -0.142940D+01  0.104410D+02
      2  -0.497091D+01  0.154859D+01  0.280026D+01  0.164246D+01 -0.743019D+01
      3  -0.323227D+01 -0.100886D+01 -0.218867D+01 -0.213064D+00 -0.301078D+01
      4   0.478396D+01  0.108950D+02  0.111357D+02  0.838369D+01  0.609471D+01
      5   0.112740D+02  0.517213D+01  0.879944D+01  0.116809D+02  0.159264D+02
      6   0.333332D+01  0.305857D+01  0.621647D+01  0.881715D+01  0.504704D+01
               251           252           253           254           255 
      1  -0.303309D+01 -0.355643D+01 -0.418568D+02 -0.442320D+02  0.693332D+01
      2   0.143328D+01 -0.674608D+01  0.301668D+01  0.315858D+02  0.211710D+01
      3   0.159981D+01  0.103025D+02  0.388401D+02  0.126462D+02 -0.905042D+01
      4   0.113994D+02  0.121047D+02 -0.551085D+02 -0.969891D+01  0.601552D+01
      5   0.115753D+02  0.354126D+02  0.117908D+02  0.973235D+01  0.568264D+01
      6   0.831432D+01  0.155485D+02  0.580465D+01  0.370408D+00  0.314291D+01
               256           257           258           259           260 
      1  -0.358095D+02  0.137435D+02  0.119896D+02 -0.169373D+01  0.134964D+02
      2   0.282209D+02 -0.175682D+02 -0.511675D+01  0.207060D+01 -0.120404D+02
      3   0.758863D+01  0.382467D+01 -0.687285D+01 -0.376867D+00 -0.145604D+01
      4   0.327161D+01  0.493140D+01 -0.906072D+01 -0.453398D+01 -0.160033D+02
      5   0.255212D+01 -0.141160D+02  0.141900D+02  0.131263D+02  0.147052D+02
      6  -0.535774D+01 -0.859408D+01  0.119969D+02  0.936370D+01  0.145626D+02
               261           262           263           264           265 
      1   0.886486D+01  0.283232D+02 -0.202045D+02  0.440843D+01 -0.238225D+02
      2   0.136804D+02 -0.736643D+01  0.346987D+01 -0.160459D+01  0.176893D+01
      3  -0.225453D+02 -0.209568D+02  0.167346D+02 -0.280384D+01  0.220536D+02
      4   0.198737D+02 -0.304910D+02  0.290414D+02 -0.564330D+01  0.391448D+02
      5   0.143869D+02  0.972930D+01 -0.687053D+01  0.716927D+01 -0.947611D+01
      6   0.456191D+01 -0.387273D+01  0.380167D+01 -0.213459D+01  0.481500D+01
               266           267           268           269           270 
      1   0.178669D+02 -0.330910D+01 -0.626133D+01  0.572057D+01  0.136028D+01
      2   0.713223D+01  0.488973D+00 -0.381934D+00  0.118163D+01 -0.130509D+00
      3  -0.249991D+02  0.282012D+01  0.664327D+01 -0.690219D+01 -0.122977D+01
      4  -0.510491D+02  0.913274D+01  0.860356D+01 -0.950973D+01 -0.425565D+01
      5   0.109982D+02 -0.101143D+02  0.398834D+01 -0.373049D+01  0.277086D+01
      6  -0.739616D+01  0.451565D+01 -0.168383D+01  0.266015D+01 -0.101705D+01
               271           272           273           274           275 
      1  -0.130136D+02  0.262821D+02 -0.150829D+01  0.175122D+02 -0.371462D+02
      2   0.156309D+02 -0.284158D+02 -0.322416D+00 -0.161183D+02  0.516605D+02
      3  -0.261727D+01  0.213374D+01  0.183071D+01 -0.139387D+01 -0.145143D+02
      4   0.214031D+01 -0.401132D+01  0.112356D+01  0.355819D+01  0.219723D+02
      5   0.298928D+01 -0.286473D+01 -0.321342D+01 -0.354348D+01  0.440986D+01
      6  -0.121160D+01  0.385810D+01 -0.486483D+01  0.121214D+01 -0.602176D+01
               276           277           278           279           280 
      1   0.110428D+00  0.331526D+01 -0.516383D+01 -0.725396D+01  0.107956D+01
      2   0.745564D+00 -0.267174D+01  0.872759D+01  0.510056D+01 -0.261173D+01
      3  -0.855991D+00 -0.643516D+00 -0.356375D+01  0.215339D+01  0.153217D+01
      4  -0.132698D+00  0.204951D+01  0.657987D+01 -0.390413D+00  0.254000D+01
      5   0.261412D+01 -0.212002D+01  0.242713D+01  0.846062D+00 -0.463078D+01
      6   0.564487D+01 -0.327702D+01  0.526359D+01  0.853716D+00 -0.239631D+01
               281           282           283           284           285 
      1   0.432188D+01 -0.838004D+01 -0.480293D+00 -0.328449D+01 -0.234224D+01
      2  -0.426786D+01  0.116066D+01 -0.164773D+01 -0.115925D+01 -0.372281D+01
      3  -0.540240D-01  0.721938D+01  0.212802D+01  0.444374D+01  0.606505D+01
      4   0.421559D+00 -0.292874D+01 -0.184891D+01 -0.685493D+01 -0.228192D+01
      5  -0.567902D+00 -0.243469D+00  0.113023D+01 -0.121135D+01 -0.679833D+01
      6   0.124862D+01 -0.269635D+01  0.100660D+01  0.142615D+01 -0.329819D+00
               286           287           288           289           290 
      1  -0.835732D+01  0.144987D+01 -0.183481D+02  0.776582D+02  0.247172D+02
      2   0.310623D+01 -0.500119D+01 -0.146424D+02 -0.248346D+02 -0.137300D+01
      3   0.525109D+01  0.355132D+01  0.329906D+02 -0.528236D+02 -0.233442D+02
      4  -0.562478D+01 -0.752291D+01 -0.328691D+01  0.665501D+02  0.384242D+02
      5   0.553679D+01  0.262105D+00 -0.326357D+02 -0.208410D+02 -0.996012D+01
      6   0.529152D+00  0.472474D+01 -0.195623D+02 -0.811199D+01 -0.660663D+01
               291           292           293           294           295 
      1  -0.517649D+01  0.170750D+02  0.100517D+02 -0.204157D+01  0.735803D+00
      2   0.214551D+01  0.120945D+01  0.638305D+01  0.229197D+00  0.148143D+01
      3   0.303098D+01 -0.182845D+02 -0.164348D+02  0.181237D+01 -0.221724D+01
      4  -0.880687D+01  0.320995D+02  0.255888D+02 -0.344797D+01 -0.675593D+00
      5   0.129309D+02 -0.645637D+01 -0.363158D+01  0.318533D+01  0.124770D+02
      6   0.719991D+01 -0.453409D+01 -0.390147D+01  0.263142D+01  0.640947D+01
               296           297 
      1  -0.137453D+01  0.645751D+01
      2   0.226675D+01 -0.451953D+01
      3  -0.892221D+00 -0.193797D+01
      4   0.113095D+01  0.632170D+01
      5   0.455659D+01 -0.492233D+01
      6   0.320489D+01 -0.243607D+01
 Leave Link  716 at Wed Sep 29 13:35:38 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216660D+03  0.912097D+01 -0.425430D+01
      2   0.912097D+01  0.135879D+03  0.719583D+01
      3  -0.425430D+01  0.719583D+01  0.149177D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.579340D+01 -0.170158D+01 -0.654699D+01
      2  -0.402392D+02 -0.141193D+02 -0.378170D+02
      3   0.253455D+02  0.563832D+02  0.743044D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.260225D+03 -0.673259D+02 -0.495099D+02
      2   0.139058D+03  0.649128D+02  0.223632D+01
      3   0.121167D+03  0.241303D+01  0.472736D+02
      4  -0.638090D+00 -0.104249D+03 -0.244630D+02
      5  -0.460928D+02 -0.221283D+02 -0.788370D+02
      6  -0.459982D+01 -0.235206D+02  0.192744D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883098D+01  0.209105D+01 -0.496018D+00 -0.113344D+00 -0.113457D+00
      2   0.209105D+01  0.749771D-01  0.364334D+00 -0.113457D+00 -0.355429D+01
      3  -0.496018D+00  0.364334D+00 -0.122172D+01  0.150548D+01 -0.145497D+01
                 6             7             8             9            10 
      1   0.150548D+01 -0.109574D+02 -0.931884D+00  0.146868D+00 -0.279519D+02
      2  -0.145497D+01 -0.931884D+00 -0.579417D-01  0.122493D+01 -0.289471D+01
      3   0.875122D+00  0.146868D+00  0.122493D+01 -0.150638D+01 -0.411709D+00
                11            12            13            14            15 
      1  -0.289471D+01 -0.411709D+00 -0.607158D+01 -0.472754D+01  0.123108D+01
      2  -0.185036D+01 -0.571136D+00 -0.472754D+01 -0.279385D+01  0.349524D+00
      3  -0.571136D+00 -0.262077D+01  0.123108D+01  0.349524D+00 -0.507896D+00
                16            17            18            19            20 
      1  -0.715668D+00  0.162629D+01 -0.928961D+00 -0.714625D+01 -0.226976D+01
      2   0.162629D+01  0.540998D+00 -0.142774D+00 -0.226976D+01  0.166882D+01
      3  -0.928961D+00 -0.142774D+00  0.157878D+01  0.274760D+00  0.129835D+01
                21            22            23            24            25 
      1   0.274760D+00 -0.719335D+01  0.216344D+00  0.474269D+00 -0.979184D+01
      2   0.129835D+01  0.216344D+00 -0.133499D+01 -0.154934D+01 -0.240870D+01
      3   0.767738D+00  0.474269D+00 -0.154934D+01  0.185225D+01  0.263270D+00
                26            27            28            29            30 
      1  -0.240870D+01  0.263270D+00  0.241236D+02  0.381029D+01 -0.113119D+01
      2  -0.121774D+01  0.119973D+01  0.381029D+01  0.229829D+01  0.496420D-01
      3   0.119973D+01 -0.228512D+01 -0.113119D+01  0.496420D-01  0.239513D+01
                31            32            33            34            35 
      1   0.294764D+01  0.517070D+01 -0.133753D+01 -0.668202D+00 -0.104716D+01
      2   0.517070D+01  0.202101D+01 -0.753612D+00 -0.104716D+01 -0.152301D+01
      3  -0.133753D+01 -0.753612D+00  0.153441D+01  0.870814D+00  0.290284D+00
                36            37            38            39            40 
      1   0.870814D+00 -0.105727D+02 -0.249621D+01  0.106137D+01 -0.458415D+00
      2   0.290284D+00 -0.249621D+01 -0.215224D+00 -0.491988D+00  0.657384D+00
      3   0.917664D+00  0.106137D+01 -0.491988D+00  0.302823D+01 -0.162360D+01
                41            42            43            44            45 
      1   0.657384D+00 -0.162360D+01  0.119695D+02  0.771697D+00 -0.117223D+01
      2   0.358842D+01  0.187410D+01  0.771697D+00  0.690373D+00 -0.142115D+01
      3   0.187410D+01 -0.961854D+00 -0.117223D+01 -0.142115D+01  0.108642D+01
                46            47            48            49            50 
      1   0.877622D+01  0.224785D+01 -0.629298D+00  0.954639D+01 -0.606191D+00
      2   0.224785D+01 -0.145237D+01 -0.117603D+01 -0.606191D+00  0.108260D+01
      3  -0.629298D+00 -0.117603D+01 -0.194016D+01 -0.245811D+00  0.197940D+01
                51            52            53            54            55 
      1  -0.245811D+00  0.935341D+01  0.211782D+01  0.938551D+00  0.154277D+02
      2   0.197940D+01  0.211782D+01  0.127917D+01 -0.119897D+01 -0.738092D+00
      3  -0.324249D+01  0.938551D+00 -0.119897D+01  0.132530D+01  0.129389D+01
                56            57            58            59            60 
      1  -0.738092D+00  0.129389D+01 -0.444673D+01  0.438011D+01 -0.136675D+01
      2   0.132778D+01 -0.616644D+00  0.438011D+01  0.562149D+01  0.173148D+01
      3  -0.616644D+00  0.204184D+01 -0.136675D+01  0.173148D+01  0.961177D-01
                61            62            63            64            65 
      1   0.723648D+01 -0.957096D+00  0.402167D+01 -0.282417D+01  0.427788D+01
      2  -0.957096D+00  0.264655D+01  0.913968D+00  0.427788D+01 -0.709066D+00
      3   0.402167D+01  0.913968D+00 -0.423326D+01  0.355613D-01  0.125782D+01
                66            67            68            69            70 
      1   0.355613D-01  0.118144D+02 -0.166124D+01  0.228925D+01 -0.572888D+01
      2   0.125782D+01 -0.166124D+01 -0.410074D+01 -0.186772D+01  0.132241D+01
      3  -0.308750D+01  0.228925D+01 -0.186772D+01  0.404492D+00 -0.477089D+01
                71            72            73            74            75 
      1   0.132241D+01 -0.477089D+01 -0.329651D+01 -0.455654D+01  0.692118D+00
      2  -0.259424D+01  0.127219D+00 -0.455654D+01  0.106332D+01 -0.125133D+01
      3   0.127219D+00  0.566596D+01  0.692118D+00 -0.125133D+01  0.281825D+01
                76            77            78            79            80 
      1  -0.575463D+01  0.113025D+01 -0.167235D+01  0.154768D+01 -0.166889D+01
      2   0.113025D+01  0.180552D+01  0.247278D+01 -0.166889D+01  0.337951D+01
      3  -0.167235D+01  0.247278D+01 -0.104372D+01  0.382339D+01 -0.160242D+01
                81            82            83            84            85 
      1   0.382339D+01 -0.241439D+01 -0.394955D+01  0.396263D-01 -0.600027D+01
      2  -0.160242D+01 -0.394955D+01  0.657200D+00 -0.161858D+01  0.207064D+01
      3  -0.412898D+01  0.396263D-01 -0.161858D+01  0.343853D+01 -0.208205D+01
                86            87            88            89            90 
      1   0.207064D+01 -0.208205D+01  0.122701D+01 -0.173996D+01  0.494447D+01
      2   0.468552D+01  0.330486D+01 -0.173996D+01  0.324831D+01  0.277537D+00
      3   0.330486D+01 -0.207032D+00  0.494447D+01  0.277537D+00 -0.296054D+01
                91            92            93            94            95 
      1  -0.251355D+01  0.259645D+00 -0.715485D+00  0.379346D+01 -0.550283D+01
      2   0.259645D+00 -0.223635D+01  0.293356D+00 -0.550283D+01 -0.792471D+00
      3  -0.715485D+00  0.293356D+00 -0.132075D+01  0.985829D+00  0.124396D+01
                96            97            98            99           100 
      1   0.985829D+00  0.204157D+01  0.150097D+01 -0.225836D+01 -0.214262D+01
      2   0.124396D+01  0.150097D+01  0.278885D+01 -0.322712D+01 -0.214652D+00
      3  -0.262010D+01 -0.225836D+01 -0.322712D+01 -0.305817D+01  0.198626D+01
               101           102           103           104           105 
      1  -0.214652D+00  0.198626D+01 -0.321113D+00  0.171234D+01 -0.569664D+00
      2   0.119849D+01  0.621771D-03  0.171234D+01 -0.189669D+01 -0.153128D+00
      3   0.621771D-03 -0.976784D+00 -0.569664D+00 -0.153128D+00  0.182350D+01
               106           107           108           109           110 
      1   0.364378D+01 -0.149075D+01 -0.181524D+01  0.465982D+01 -0.116219D+01
      2  -0.149075D+01  0.704110D+00  0.196840D+01 -0.116219D+01  0.619050D+00
      3  -0.181524D+01  0.196840D+01  0.344413D+01 -0.362905D+01  0.255080D+00
               111           112           113           114           115 
      1  -0.362905D+01 -0.258592D+01  0.160460D+01  0.857661D+00 -0.826939D+01
      2   0.255080D+00  0.160460D+01 -0.158483D+01 -0.214898D+01  0.166248D+01
      3   0.229053D+01  0.857661D+00 -0.214898D+01 -0.183093D+01  0.378749D+01
               116           117           118           119           120 
      1   0.166248D+01  0.378749D+01 -0.630140D+00  0.148195D+01  0.131819D+01
      2  -0.305377D+01 -0.131752D+01  0.148195D+01 -0.261620D+01  0.183403D+00
      3  -0.131752D+01 -0.855565D+01  0.131819D+01  0.183403D+00  0.101211D+00
               121           122           123           124           125 
      1   0.195147D+01 -0.256991D+01  0.229815D+00  0.434256D+01 -0.118844D+01
      2  -0.256991D+01  0.277415D+01  0.108408D+01 -0.118844D+01  0.214989D+01
      3   0.229815D+00  0.108408D+01 -0.190063D+00  0.167285D+01 -0.181558D+01
               126           127           128           129           130 
      1   0.167285D+01 -0.206213D+01 -0.115477D+01 -0.170958D+01 -0.157037D+01
      2  -0.181558D+01 -0.115477D+01 -0.101721D+01 -0.103937D+01 -0.899521D+00
      3   0.431950D+01 -0.170958D+01 -0.103937D+01 -0.146571D+01 -0.149327D+01
               131           132           133           134           135 
      1  -0.899521D+00 -0.149327D+01 -0.198132D+01 -0.119593D+01 -0.211947D+01
      2  -0.157155D+01 -0.168261D+01 -0.119593D+01 -0.232253D+01 -0.277841D+01
      3  -0.168261D+01 -0.266830D+01 -0.211947D+01 -0.277841D+01 -0.550735D+01
               136           137           138           139           140 
      1   0.381185D+01 -0.324643D+00 -0.215146D+01 -0.639888D+00  0.178826D+00
      2  -0.324643D+00  0.476615D+00  0.213567D+00  0.178826D+00 -0.497181D+00
      3  -0.215146D+01  0.213567D+00  0.206040D+01  0.592590D+00 -0.518268D+00
               141           142           143           144           145 
      1   0.592590D+00 -0.268977D+01  0.698163D+00  0.281657D+01  0.216280D+01
      2  -0.518268D+00  0.698163D+00 -0.107479D+01 -0.117298D+01  0.126641D+01
      3  -0.160042D+01  0.281657D+01 -0.117298D+01 -0.515885D+01  0.182849D+01
               146           147           148           149           150 
      1   0.126641D+01  0.182849D+01  0.123617D+01  0.803715D+00  0.147310D+01
      2   0.998056D+00  0.109617D+01  0.803715D+00  0.121130D+01  0.156236D+01
      3   0.109617D+01  0.188378D+01  0.147310D+01  0.156236D+01  0.293783D+01
               151           152           153           154           155 
      1   0.186137D+01  0.117295D+01  0.232225D+01 -0.319181D+01  0.301209D+00
      2   0.117295D+01  0.216970D+01  0.275911D+01  0.301209D+00 -0.362437D+00
      3   0.232225D+01  0.275911D+01  0.645487D+01  0.259082D+01 -0.227737D+00
               156           157           158           159           160 
      1   0.259082D+01  0.161173D+00 -0.254909D+00 -0.505150D+00  0.306858D+01
      2  -0.227737D+00 -0.254909D+00  0.340401D+00  0.536223D+00 -0.754251D+00
      3  -0.299745D+01 -0.505150D+00  0.536223D+00  0.171212D+01 -0.330791D+01
               161           162           163           164           165 
      1  -0.754251D+00 -0.330791D+01 -0.212992D+01 -0.742830D-01  0.171943D+01
      2   0.100806D+01  0.112899D+01 -0.742830D-01 -0.659756D+00  0.583037D+00
      3   0.112899D+01  0.669457D+01  0.171943D+01  0.583037D+00 -0.164287D+01
               166           167           168           169           170 
      1   0.158426D+01 -0.756349D+00  0.316262D+00  0.359416D+01  0.751932D+00
      2  -0.756349D+00 -0.985995D+00  0.818827D+00  0.751932D+00  0.118927D+01
      3   0.316262D+00  0.818827D+00 -0.230653D+00 -0.220281D+01 -0.145182D+01
               171           172           173           174           175 
      1  -0.220281D+01 -0.171803D+01 -0.141001D+01 -0.657061D+00 -0.316633D+01
      2  -0.145182D+01 -0.141001D+01 -0.858548D+00  0.290852D-02 -0.263761D+01
      3   0.576903D+01 -0.657061D+00  0.290852D-02 -0.289134D+00 -0.280565D+00
               176           177           178           179           180 
      1  -0.263761D+01 -0.280565D+00 -0.412675D+01 -0.788691D+00 -0.114416D+01
      2  -0.849168D+01 -0.987950D+00 -0.788691D+00 -0.219161D+01 -0.132532D+01
      3  -0.987950D+00 -0.844213D+00 -0.114416D+01 -0.132532D+01 -0.453504D+00
               181           182           183           184           185 
      1   0.175298D+01 -0.709331D+00 -0.144887D+01 -0.139717D+01  0.325429D+00
      2  -0.709331D+00  0.457809D+00 -0.269732D+00  0.325429D+00  0.579274D+00
      3  -0.144887D+01 -0.269732D+00  0.135353D+01 -0.190608D+00 -0.806275D+00
               186           187           188           189           190 
      1  -0.190608D+00 -0.224076D+01 -0.221166D+00  0.104883D+01 -0.144935D+01
      2  -0.806275D+00 -0.221166D+00 -0.986266D+00  0.211793D-01  0.987822D+00
      3   0.130924D+00  0.104883D+01  0.211793D-01 -0.689203D+01  0.148693D+01
               191           192           193           194           195 
      1   0.987822D+00  0.148693D+01  0.525213D+00 -0.611239D+00 -0.440453D-01
      2  -0.921302D+00 -0.315911D+00 -0.611239D+00  0.422281D+00  0.754029D+00
      3  -0.315911D+00 -0.185966D+01 -0.440453D-01  0.754029D+00  0.370060D+00
               196           197           198           199           200 
      1   0.235653D+01 -0.588120D+00 -0.226149D+01 -0.412092D+01  0.322139D+01
      2  -0.588120D+00  0.164093D+01  0.150338D+01  0.322139D+01 -0.286995D+01
      3  -0.226149D+01  0.150338D+01  0.614963D+01 -0.152714D+01  0.100119D+01
               201           202           203           204           205 
      1  -0.152714D+01  0.291852D+01 -0.306732D+01  0.121137D+01 -0.264760D+01
      2   0.100119D+01 -0.306732D+01  0.455676D+01 -0.190179D+01  0.183095D+01
      3  -0.140270D+01  0.121137D+01 -0.190179D+01  0.130814D+01 -0.205488D+01
               206           207           208           209           210 
      1   0.183095D+01 -0.205488D+01  0.812899D+01  0.164566D+01  0.217629D+00
      2  -0.294753D+01  0.187545D+01  0.164566D+01  0.255193D+01  0.157449D+00
      3   0.187545D+01 -0.182332D+01  0.217629D+00  0.157449D+00  0.479177D+00
               211           212           213           214           215 
      1   0.120312D+01  0.179417D+01  0.112723D+00  0.334457D+00  0.757165D-01
      2   0.179417D+01  0.206411D+01 -0.153105D+00  0.757165D-01 -0.398976D+00
      3   0.112723D+00 -0.153105D+00  0.523504D+00  0.261880D+00  0.691102D+00
               216           217           218           219           220 
      1   0.261880D+00 -0.319860D+01 -0.108331D+00  0.193577D+01  0.384051D+00
      2   0.691102D+00 -0.108331D+00 -0.587925D+00  0.392519D+00 -0.105240D+01
      3   0.371297D+00  0.193577D+01  0.392519D+00 -0.190064D+01  0.344144D+00
               221           222           223           224           225 
      1  -0.105240D+01  0.344144D+00  0.437920D+01  0.914581D+00 -0.321973D+01
      2  -0.815116D+00  0.552934D+00  0.914581D+00  0.109202D+01 -0.628830D+00
      3   0.552934D+00 -0.183431D+00 -0.321973D+01 -0.628830D+00  0.525593D+01
               226           227           228           229           230 
      1  -0.214873D+00 -0.996775D+00 -0.492890D+00 -0.240133D+01 -0.249895D+01
      2  -0.996775D+00 -0.517933D+00 -0.944447D-01 -0.249895D+01 -0.776306D+01
      3  -0.492890D+00 -0.944447D-01 -0.426058D+00 -0.701933D+00 -0.244081D+01
               231           232           233           234           235 
      1  -0.701933D+00 -0.120939D+01 -0.629273D+00 -0.130302D+01 -0.649889D+01
      2  -0.244081D+01 -0.629273D+00 -0.248025D+01 -0.178301D+01  0.197959D+01
      3  -0.173909D+01 -0.130302D+01 -0.178301D+01 -0.142179D+01 -0.261253D+01
               236           237           238           239           240 
      1   0.197959D+01 -0.261253D+01  0.476332D+01 -0.210220D+01  0.170745D+01
      2  -0.122123D+01  0.862187D+00 -0.210220D+01  0.172958D+01 -0.149491D+01
      3   0.862187D+00 -0.201054D+01  0.170745D+01 -0.149491D+01  0.149186D+01
               241           242           243           244           245 
      1  -0.424135D+01  0.103122D+01 -0.328343D+01  0.137063D-01  0.324914D+00
      2   0.103122D+01 -0.153311D+01  0.996550D+00  0.324914D+00  0.738381D+00
      3  -0.328343D+01  0.996550D+00 -0.261173D+01  0.177661D+01  0.384211D+00
               246           247           248           249           250 
      1   0.177661D+01  0.428182D+00  0.132831D+01  0.520786D+00  0.286645D+01
      2   0.384211D+00  0.132831D+01  0.172656D+01  0.122705D+01  0.668468D+00
      3   0.109308D+01  0.520786D+00  0.122705D+01  0.170651D+01  0.173261D+01
               251           252           253           254           255 
      1   0.668468D+00  0.173261D+01 -0.775735D+01 -0.527354D+01  0.757113D+00
      2   0.164177D+01  0.162477D+01 -0.527354D+01  0.167571D+01  0.472893D+00
      3   0.162477D+01  0.519094D+01  0.757113D+00  0.472893D+00  0.908513D+00
               256           257           258           259           260 
      1  -0.209750D+01  0.322927D+01 -0.542223D+00 -0.287219D+01 -0.106411D+01
      2   0.322927D+01 -0.618393D+00 -0.198509D+01 -0.106411D+01 -0.337916D+01
      3  -0.542223D+00 -0.198509D+01  0.268219D+01  0.215337D+01  0.268908D+01
               261           262           263           264           265 
      1   0.215337D+01  0.350343D+01 -0.276982D+01  0.829019D+00 -0.365774D+01
      2   0.268908D+01 -0.276982D+01  0.285855D+01 -0.560834D+00  0.392205D+01
      3   0.265010D+01  0.829019D+00 -0.560834D+00  0.796997D+00 -0.755958D+00
               266           267           268           269           270 
      1   0.392205D+01 -0.755958D+00 -0.836646D+00  0.858624D+00  0.401902D+00
      2  -0.565893D+01  0.102467D+01  0.858624D+00 -0.940263D+00 -0.440486D+00
      3   0.102467D+01 -0.121867D+01  0.401902D+00 -0.440486D+00  0.371618D+00
               271           272           273           274           275 
      1  -0.146697D+01  0.212975D+01  0.114679D+00  0.187726D+01 -0.154112D+01
      2   0.212975D+01 -0.334347D+01  0.238728D+00 -0.154112D+01  0.662201D+01
      3   0.114679D+00  0.238728D+00 -0.787511D+00 -0.467347D-01  0.113209D-01
               276           277           278           279           280 
      1  -0.467347D-01  0.781101D+00  0.239957D-01 -0.556143D+00  0.340738D+00
      2   0.113209D-01  0.239957D-01  0.141852D+01  0.581502D+00  0.186765D+00
      3   0.663949D+00 -0.556143D+00  0.581502D+00  0.193524D-01 -0.914316D+00
               281           282           283           284           285 
      1   0.186765D+00 -0.914316D+00 -0.606419D+00 -0.554476D+00  0.567192D-01
      2  -0.467725D+00  0.390297D-01 -0.554476D+00 -0.874431D+00 -0.347153D+00
      3   0.390297D-01 -0.766242D+00  0.567192D-01 -0.347153D+00 -0.117489D+01
               286           287           288           289           290 
      1  -0.155026D+01 -0.311989D+00  0.365579D-01  0.117682D+02  0.489102D+01
      2  -0.311989D+00 -0.125310D+01  0.327376D-01  0.489102D+01  0.324207D+01
      3   0.365579D-01  0.327376D-01 -0.615701D+01 -0.143166D+01 -0.912765D+00
               291           292           293           294           295 
      1  -0.143166D+01  0.334749D+01  0.263314D+01 -0.450301D+00 -0.764346D-01
      2  -0.912765D+00  0.263314D+01  0.250321D+01 -0.281897D+00 -0.418556D-01
      3   0.125928D+01 -0.450301D+00 -0.281897D+00  0.150784D+00  0.115535D+01
               296           297 
      1  -0.418556D-01  0.115535D+01
      2   0.366245D+00  0.400468D+00
      3   0.400468D+00 -0.511399D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.188874D+01  0.597106D+00 -0.238502D+01  0.545818D+01  0.585711D+00
      2  -0.125005D+02  0.235835D+01  0.846244D+01  0.391994D+01 -0.279810D+00
      3  -0.341036D+01 -0.344971D+01 -0.391578D+01  0.119276D+02  0.446513D-01
                 6             7             8             9            10 
      1  -0.301972D+01 -0.434772D+01  0.216671D+01  0.776729D+00 -0.483245D+01
      2  -0.328485D+00  0.314245D+01 -0.132702D+01 -0.403895D+01  0.174031D+02
      3  -0.352319D+01 -0.178007D+01  0.727008D+00  0.433038D+01  0.255192D+01
                11            12            13            14            15 
      1   0.415142D+00  0.162978D+01  0.743664D+00 -0.445094D+01 -0.706066D+01
      2   0.135076D+01 -0.259323D+01 -0.512259D+00  0.159572D+01 -0.217618D+01
      3   0.122449D+01  0.924413D+00  0.122449D+02 -0.620024D+00 -0.969560D+00
                16            17            18            19            20 
      1   0.833006D+01  0.703288D-01  0.361075D+01 -0.526365D+00 -0.880029D+00
      2  -0.211906D+02 -0.177205D+01  0.336734D+01  0.792495D+01  0.267219D+01
      3   0.560554D+01 -0.161671D+01 -0.344013D+01 -0.449958D+01 -0.118405D+01
                21            22            23            24            25 
      1   0.281968D+00 -0.703713D+01 -0.369724D+01 -0.200054D+01  0.105780D+01
      2   0.533791D+01  0.729537D+01  0.352186D+01  0.135791D+01  0.190170D+01
      3  -0.659154D+00  0.112339D+02  0.266652D+01  0.246317D+01 -0.493043D+01
                26            27            28            29            30 
      1   0.236661D+01 -0.154533D+01  0.217687D+01  0.247512D+01  0.391006D+01
      2   0.140696D+01  0.139867D+01 -0.137321D+02 -0.351241D+01 -0.914097D+00
      3  -0.122023D+00 -0.154207D+01 -0.335476D+01 -0.416017D+00  0.158903D+01
                31            32            33            34            35 
      1   0.606266D+01 -0.175896D+01 -0.766122D+01  0.607245D+01  0.890186D-01
      2  -0.581852D+01 -0.531686D+01 -0.129114D+01 -0.214344D+02 -0.227445D+01
      3   0.830801D+01  0.442772D+01 -0.367519D-02  0.264436D+01  0.243226D+01
                36            37            38            39            40 
      1   0.362256D+01 -0.364981D+01 -0.245988D+00 -0.120640D+01  0.409005D+01
      2   0.250486D+01  0.623824D+01  0.489777D+01  0.503357D+01  0.425875D+01
      3  -0.334823D+01 -0.190926D+01 -0.274677D+01 -0.353983D+01  0.100834D+02
                41            42            43            44            45 
      1   0.376637D+01 -0.108230D+01 -0.515229D+00  0.235634D+01 -0.642668D-01
      2   0.888969D+00 -0.370095D+00 -0.130520D+02 -0.282235D+01  0.213645D+00
      3  -0.101517D+01 -0.396157D+01  0.762968D+00 -0.109695D+01  0.324380D+01
                46            47            48            49            50 
      1   0.447464D+01 -0.173872D+01 -0.810033D+00 -0.595776D+01 -0.120645D+01
      2  -0.753280D+01 -0.186842D+01  0.428877D+01 -0.502962D+01  0.428782D+00
      3  -0.422669D+01 -0.132602D+01 -0.536385D+00  0.909422D+01  0.277976D+01
                51            52            53            54            55 
      1  -0.219011D+01  0.425467D+01  0.336891D+01 -0.284306D+00  0.428434D+01
      2   0.300203D+01 -0.944892D+01 -0.134792D+01 -0.563587D+00 -0.907200D+01
      3   0.343173D+01 -0.588761D+01  0.535560D+00 -0.137603D+01 -0.119699D+02
                56            57            58            59            60 
      1  -0.123997D+01  0.146006D+01 -0.335470D+01  0.637321D+01 -0.166679D+01
      2   0.149091D+01 -0.291211D+01  0.486913D+01 -0.997544D+01 -0.376189D+00
      3   0.183477D+01 -0.249038D+01  0.258331D+02  0.140628D+02  0.766741D+01
                61            62            63            64            65 
      1   0.498438D+01  0.390345D+01 -0.553602D+01 -0.452754D+01  0.586335D+00
      2  -0.250147D+02 -0.278456D+01  0.152184D+02  0.440125D+01 -0.377538D+01
      3  -0.893304D+01  0.902940D+01 -0.235112D+01  0.235244D+02 -0.770728D+01
                66            67            68            69            70 
      1  -0.236948D+00  0.439895D+00  0.121536D+01 -0.181922D+01 -0.402422D+01
      2   0.170525D+02 -0.102257D+02  0.924457D+01  0.787482D-01  0.177020D+02
      3   0.562880D+01 -0.679436D+01 -0.156333D+02 -0.823633D+01  0.110949D+02
                71            72            73            74            75 
      1   0.521602D+01 -0.675906D+00 -0.464592D+00  0.291461D+01 -0.555333D+01
      2  -0.755066D+00 -0.285537D+02 -0.173461D+01  0.668260D+01 -0.933792D+01
      3  -0.104124D+02  0.246740D+01 -0.271078D+02 -0.838751D+01 -0.470491D+01
                76            77            78            79            80 
      1   0.344982D+01 -0.688239D+01  0.191606D+00 -0.762532D+01  0.651470D+01
      2   0.843377D+01 -0.982786D+01  0.457798D+01 -0.179152D+02  0.680485D+01
      3  -0.219761D+01  0.819429D+01  0.711486D+01 -0.616807D+01  0.999593D+01
                81            82            83            84            85 
      1   0.797201D+01  0.249417D+01 -0.120663D+01  0.337465D+01 -0.250360D+01
      2   0.166579D+02 -0.250854D+01  0.686517D+01 -0.173898D+02  0.873386D+01
      3  -0.132326D+01 -0.205405D+02  0.456426D+01 -0.916982D+01  0.211738D+02
                86            87            88            89            90 
      1  -0.248724D+00 -0.373444D+01  0.522764D+01  0.448973D+00 -0.175334D+01
      2  -0.184177D+02 -0.107789D+01 -0.325815D+02 -0.333062D+01  0.190682D+02
      3   0.265032D+02  0.207934D+02 -0.990282D+01  0.194134D+02 -0.224450D+01
                91            92            93            94            95 
      1  -0.176753D+01 -0.226402D+00  0.215111D+01  0.110747D+01 -0.814616D+00
      2  -0.116292D+00  0.788998D+00  0.442383D+00  0.174830D+01  0.590332D+01
      3  -0.994798D+01  0.164373D+01 -0.514496D+00  0.315574D+02 -0.106727D+01
                96            97            98            99           100 
      1  -0.101050D+01  0.556659D+01  0.756581D+01  0.279417D+01  0.202503D+01
      2  -0.957266D+01 -0.152397D+02 -0.116300D+02 -0.107578D+02  0.168925D+01
      3  -0.452491D+01 -0.160275D+01 -0.663235D+01  0.814478D+01  0.215703D+02
               101           102           103           104           105 
      1   0.310329D+01 -0.549440D+01 -0.523922D+00  0.116618D+01 -0.370881D+01
      2  -0.419039D+00  0.263861D+00 -0.167738D+00 -0.147558D+01  0.143271D+02
      3  -0.981698D+01  0.164480D+01 -0.179513D+01 -0.574109D+01 -0.719386D+00
               106           107           108           109           110 
      1  -0.407374D+01 -0.448260D+01  0.159400D+01 -0.188956D+01 -0.319327D+01
      2  -0.610637D+01  0.854491D+01  0.174744D+02 -0.108766D+02  0.983696D+00
      3   0.699070D+01 -0.597434D+01 -0.677854D+01 -0.181554D+01 -0.467743D+01
               111           112           113           114           115 
      1   0.265281D+01 -0.727948D+00  0.557376D+00 -0.282631D+01  0.473232D+00
      2   0.110978D+02 -0.707197D+00 -0.834499D+01 -0.971371D+01  0.532306D+01
      3  -0.455239D+00 -0.466036D+01  0.962984D+01  0.869839D+01 -0.887284D+01
               116           117           118           119           120 
      1   0.786449D+01 -0.618385D+01  0.300431D+01 -0.142431D+01  0.823450D+00
      2  -0.431017D+01 -0.360074D+02  0.602226D+01 -0.964685D+00  0.246405D+01
      3   0.134334D+02  0.612361D+01 -0.717175D+01  0.705600D+01 -0.242854D+01
               121           122           123           124           125 
      1  -0.186515D+01  0.273957D+01 -0.227515D+01 -0.296974D+01  0.684046D+01
      2   0.121899D+01  0.681016D+01 -0.252424D+01 -0.440529D+00 -0.459274D+01
      3   0.864379D+01 -0.658554D+01 -0.461975D+01  0.430605D+01 -0.847608D+01
               126           127           128           129           130 
      1   0.471324D+01 -0.590275D+00  0.133417D+01 -0.485961D+00 -0.759675D+00
      2   0.175775D+02 -0.382497D+01 -0.660614D+00 -0.698645D+00 -0.185569D+01
      3   0.578120D+01  0.227567D+01 -0.162225D+00  0.743233D+00  0.306765D+01
               131           132           133           134           135 
      1   0.353438D+00 -0.308597D+01 -0.871258D+00  0.227487D+01 -0.247495D+01
      2   0.140293D+00  0.467581D+00 -0.336339D+01  0.321462D+00  0.177763D+01
      3  -0.829696D+00  0.333674D+00  0.195673D+01 -0.156499D+01 -0.298683D+00
               136           137           138           139           140 
      1  -0.119636D+01 -0.172886D+01  0.183562D+01  0.781631D-01  0.147134D+00
      2   0.655747D+01 -0.482521D+00 -0.109022D+01  0.630625D+00  0.681522D-01
      3  -0.304309D+01 -0.793012D+00  0.140907D+01  0.963162D+00  0.590173D+00
               141           142           143           144           145 
      1  -0.177197D+01  0.786540D+00  0.295525D+01 -0.112044D+01  0.137467D+01
      2  -0.891259D+00 -0.444152D+01  0.135637D+00 -0.102521D+01 -0.475942D+01
      3  -0.380739D+00  0.148501D+01  0.159737D+01 -0.913993D+00  0.877431D+00
               146           147           148           149           150 
      1   0.246475D+01  0.510668D+00  0.171932D+00  0.145217D+01 -0.143120D+01
      2  -0.154730D+01 -0.114428D+01 -0.262017D+01 -0.667144D+00 -0.484605D+00
      3  -0.699608D+00  0.678620D-01  0.193709D+01 -0.555565D+00 -0.160377D-01
               151           152           153           154           155 
      1   0.721934D+00  0.437641D+01  0.431199D+00  0.111084D+00 -0.209520D+01
      2  -0.393587D+01 -0.576015D+00  0.290584D+00  0.625358D+01 -0.469038D+00
      3   0.740428D+00 -0.206372D+01 -0.796713D+00 -0.117914D+01 -0.114120D+01
               156           157           158           159           160 
      1   0.658945D+00  0.674402D-01  0.521127D+00 -0.103059D+01 -0.148747D+01
      2  -0.105044D+01  0.662481D+00  0.342007D-01 -0.114749D+01 -0.553387D+01
      3   0.596564D+00  0.133078D+01  0.372278D+00  0.276503D-01  0.380603D-01
               161           162           163           164           165 
      1   0.394197D+01  0.124087D+01  0.203805D+01 -0.238097D+00 -0.182535D+01
      2   0.648304D+00 -0.844404D+00 -0.506001D+01 -0.182826D+01  0.582359D+01
      3   0.186424D+01 -0.350101D+00  0.269511D+01 -0.295278D+01 -0.182045D+00
               166           167           168           169           170 
      1   0.729165D+00  0.276073D+00 -0.828287D+00 -0.210194D+01  0.142383D+01
      2  -0.206280D+01 -0.179838D+01  0.226417D+00  0.121794D+01  0.387209D+01
      3  -0.158348D+01 -0.220371D+01  0.182555D+01 -0.163837D+01  0.351991D+01
               171           172           173           174           175 
      1   0.718465D+01 -0.137820D+01 -0.322153D+00 -0.966606D+00 -0.131105D+01
      2  -0.180341D+02  0.394456D+01  0.719891D+00  0.251681D+01  0.231002D+01
      3  -0.996747D+00 -0.193001D+01 -0.191828D+01  0.463601D+00 -0.164545D+01
               176           177           178           179           180 
      1  -0.478030D+01 -0.396792D+01 -0.190221D+01 -0.187852D+01 -0.141573D+01
      2   0.614018D+01  0.338847D+01  0.395427D+01  0.473609D+01  0.135801D+01
      3  -0.233713D+02 -0.234811D+01  0.189537D+01 -0.636845D+01 -0.250185D+01
               181           182           183           184           185 
      1   0.138897D+01 -0.113999D+01 -0.765249D-02 -0.401024D+00 -0.589140D+00
      2   0.997039D+01  0.479676D+00 -0.678523D+01 -0.171360D+00  0.372945D+01
      3  -0.290798D+01  0.114500D+01 -0.672073D+00  0.344797D+01  0.227451D+01
               186           187           188           189           190 
      1  -0.443381D+00 -0.363061D+00  0.301898D+01  0.441630D+00 -0.288221D+01
      2  -0.320486D+00 -0.106996D+02 -0.782306D-01  0.292078D+02 -0.551165D+01
      3  -0.305938D+01 -0.636765D+00 -0.322068D+01  0.171367D+00  0.242194D+01
               191           192           193           194           195 
      1  -0.270908D+00  0.367934D+01  0.890019D-01 -0.119209D+01 -0.162579D+01
      2   0.120118D+01  0.775461D+01  0.111801D+00 -0.263834D+01 -0.104344D+01
      3  -0.331694D+01  0.803825D+00 -0.339261D+00  0.582818D+00  0.262556D+01
               196           197           198           199           200 
      1   0.403350D+01  0.402350D+00 -0.121416D+02  0.283733D+01 -0.151503D+01
      2   0.494686D+01 -0.563832D+01 -0.247455D+02  0.609003D+01 -0.428738D+01
      3   0.173666D+01  0.685259D+01  0.304579D+01  0.587505D+01 -0.828905D+01
               201           202           203           204           205 
      1   0.403422D+01 -0.291672D+01  0.298322D+01 -0.410245D+01  0.401944D+01
      2   0.728261D+01 -0.471790D+01  0.795775D+01 -0.640835D+01  0.720340D+01
      3   0.150258D+01 -0.478445D+01  0.144870D+02 -0.537278D+01  0.241649D+01
               206           207           208           209           210 
      1  -0.183169D+01  0.403148D+01 -0.154981D+01 -0.391850D+00 -0.204538D+01
      2  -0.767771D+01  0.778708D+01 -0.224227D+01 -0.986454D+00 -0.803335D+00
      3  -0.992128D+01  0.443521D+01  0.263174D+02  0.117433D+02  0.135119D+01
               211           212           213           214           215 
      1  -0.697379D+00  0.488458D+00 -0.180830D+01 -0.183617D+01 -0.253615D-01
      2  -0.101196D+01  0.471991D+00 -0.957422D+00 -0.388536D+01 -0.228888D+01
      3   0.123218D+02  0.102148D+02 -0.349903D+00  0.167627D+01 -0.133289D+01
               216           217           218           219           220 
      1  -0.105272D+01  0.142813D+01 -0.946789D-01 -0.176835D+01  0.618352D+00
      2  -0.145945D+01 -0.117359D+02 -0.227241D+01  0.127459D+02 -0.181767D+01
      3   0.330286D+01  0.153550D+01 -0.427413D+01  0.736236D+00 -0.453214D+01
               221           222           223           224           225 
      1   0.577152D+00 -0.110907D+01 -0.231674D+01  0.153766D+01  0.410162D+01
      2  -0.328137D+01  0.129428D+01  0.167157D+02  0.362484D+01 -0.321027D+02
      3  -0.365882D+01  0.252005D+01  0.166035D+01  0.632122D+01 -0.817073D+00
               226           227           228           229           230 
      1   0.457740D+00  0.246552D+00 -0.348539D+00  0.789313D+00  0.366124D+01
      2   0.294879D+01 -0.116430D+00  0.251279D+01  0.166527D+01  0.125998D+02
      3  -0.560112D+01 -0.285813D+01 -0.238772D+00 -0.816880D+01 -0.407682D+02
               231           232           233           234           235 
      1  -0.226188D+01 -0.547123D+00  0.131293D+01 -0.574595D+00 -0.291671D+01
      2   0.982159D+01  0.485597D+01  0.940332D+01  0.684796D+01  0.100389D+02
      3  -0.127978D+02 -0.180852D+01 -0.134111D+02 -0.843443D+01  0.142846D+02
               236           237           238           239           240 
      1   0.208481D+01 -0.127633D+01  0.226475D+01 -0.278135D+01  0.791966D+00
      2  -0.359256D+01  0.117937D+02 -0.627187D+01  0.723120D+01 -0.823559D+01
      3  -0.102286D+02  0.645152D+01 -0.126704D+02  0.117711D+02 -0.933094D+01
               241           242           243           244           245 
      1  -0.227003D+01  0.317791D+01 -0.156551D+01 -0.198943D+01 -0.232010D-01
      2   0.141676D+02 -0.500661D+01  0.131064D+02  0.609781D+01  0.150493D+01
      3   0.776830D+01 -0.103279D+02  0.748027D+01 -0.988757D+00 -0.266527D+01
               246           247           248           249           250 
      1  -0.118935D+01 -0.418449D+00 -0.324342D+00 -0.233428D+01 -0.133548D+01
      2   0.340400D+01  0.140215D+01  0.319432D+01  0.555593D+01  0.735623D+00
      3   0.228360D+00 -0.213216D+01 -0.409664D+01 -0.310081D+01  0.356686D+00
               251           252           253           254           255 
      1   0.124750D+01 -0.527367D+01  0.338806D+01 -0.355025D+01 -0.430561D+01
      2   0.481298D+01  0.162221D+02 -0.550263D+01 -0.437004D+01  0.716483D+01
      3  -0.419440D+01 -0.380256D+01  0.189194D+01 -0.191165D+02 -0.167327D+00
               256           257           258           259           260 
      1  -0.715239D+00  0.743694D+01 -0.689980D+01 -0.395453D+01 -0.852657D+00
      2  -0.620781D+01 -0.546590D+01  0.953335D+01  0.665439D+01  0.101445D+02
      3  -0.151159D+02  0.762981D+01  0.641531D+01  0.107921D+01  0.977132D+01
               261           262           263           264           265 
      1  -0.111177D+02 -0.220904D+01  0.267973D+01  0.788758D+00  0.357857D+01
      2   0.113956D+02  0.129943D+00  0.276266D+00  0.291577D+01  0.432569D+00
      3  -0.620298D+01  0.719814D+01 -0.954718D+01  0.241728D+01 -0.106575D+02
               266           267           268           269           270 
      1  -0.497028D+01 -0.112804D+01  0.615373D+00 -0.629311D+00 -0.758874D+00
      2   0.411794D+00 -0.462191D+01  0.130984D+01 -0.194549D+01  0.603154D+00
      3   0.201984D+02 -0.325641D+01 -0.254189D+01  0.353805D+01  0.146253D+01
               271           272           273           274           275 
      1  -0.265493D+01  0.264392D+01  0.315746D+01  0.192026D+01 -0.623439D+01
      2  -0.157704D+01  0.250557D+01 -0.147085D+01  0.187411D+01 -0.204792D+01
      3  -0.122523D+02  0.135684D+02  0.132979D+00  0.111588D+02 -0.234837D+02
               276           277           278           279           280 
      1  -0.325443D+01  0.217294D+01 -0.126496D+01 -0.968393D+00  0.276872D+01
      2   0.104029D+01 -0.236906D+01  0.125817D+01 -0.473704D+00 -0.424974D+01
      3  -0.439794D+00  0.216106D+01 -0.423040D+01 -0.309373D+01 -0.380273D+00
               281           282           283           284           285 
      1   0.117591D+01  0.210517D+01  0.113438D+01  0.385165D+01  0.265775D+01
      2  -0.526843D+00 -0.329778D+01 -0.218620D+01 -0.193902D+01 -0.430585D+01
      3   0.131274D+01 -0.142894D+01  0.195177D+01  0.187176D+01  0.104523D+01
               286           287           288           289           290 
      1   0.119246D+01  0.439472D+01  0.143200D+02 -0.111605D+01 -0.119588D+01
      2  -0.411706D+01 -0.889083D+00 -0.199723D+02  0.471643D+01  0.500542D+00
      3  -0.159275D+01  0.303001D+01 -0.312358D+00  0.664623D+01 -0.435967D+01
               291           292           293           294           295 
      1  -0.314883D+01 -0.149330D+01 -0.181990D+01 -0.108251D+01 -0.239583D+01
      2   0.571050D+01  0.181727D+01  0.110385D+01  0.117528D+01  0.261476D+01
      3   0.815371D+00 -0.878347D+00 -0.410030D+01 -0.737159D-01 -0.792520D-01
               296           297 
      1   0.705725D-01  0.126917D+01
      2   0.762015D+00 -0.137568D+01
      3  -0.109498D+01  0.935907D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.457796D+01 -0.459140D+01 -0.202321D+02  0.875170D+01 -0.114097D+02
      2  -0.875103D+00 -0.673641D+00  0.365060D+01  0.796268D-01  0.184090D+02
      3   0.545306D+01  0.526504D+01  0.165815D+02 -0.883133D+01 -0.699929D+01
      4  -0.650032D+01 -0.363252D+01 -0.833766D+01  0.216641D+01 -0.111013D+01
      5  -0.195539D+02 -0.695697D+01  0.545753D+00 -0.705481D+01 -0.197331D+01
      6  -0.100164D+02 -0.532960D+00  0.171915D+00 -0.279652D+01  0.171903D+00
                 6             7             8             9            10 
      1  -0.325210D+01  0.261575D+02  0.115488D+02  0.154935D+02  0.501741D+02
      2   0.757689D+01 -0.582137D+01 -0.178957D+01 -0.608400D+01 -0.186140D+02
      3  -0.432480D+01 -0.203361D+02 -0.975927D+01 -0.940948D+01 -0.315601D+02
      4  -0.108861D+01  0.464340D+01  0.211448D+01 -0.349509D+01  0.298905D+01
      5  -0.688337D+01  0.134795D+02 -0.349604D+01 -0.486408D+01  0.772519D+01
      6   0.166332D+01 -0.529782D+01 -0.427477D+01 -0.117075D+02  0.677503D+00
                11            12            13            14            15 
      1   0.370419D+01  0.452630D+01  0.135691D+01 -0.295712D+01 -0.797068D+01
      2  -0.134244D+00  0.246220D+01  0.311758D+01  0.798744D+01  0.256390D+01
      3  -0.356994D+01 -0.698850D+01 -0.447449D+01 -0.503032D+01  0.540678D+01
      4   0.192369D+01  0.305607D+01  0.138800D+02  0.338391D+01 -0.137637D+00
      5   0.406196D+01  0.635328D+01 -0.976325D+01  0.516426D+00  0.161860D+01
      6   0.394534D+00  0.200611D+01 -0.743801D+01 -0.532348D+01  0.855357D+01
                16            17            18            19            20 
      1   0.101767D+02 -0.832937D+01 -0.196345D+02  0.371934D+01  0.119519D+02
      2  -0.599541D+01 -0.376443D+01  0.214450D+01  0.522700D+01 -0.832029D+01
      3  -0.418129D+01  0.120938D+02  0.174900D+02 -0.894634D+01 -0.363158D+01
      4  -0.128408D+02 -0.440534D+00 -0.264251D+01  0.255448D+01  0.547474D+01
      5  -0.153467D+02 -0.108845D+01 -0.170279D+01  0.197238D+02  0.336347D+01
      6  -0.421451D+01  0.160566D+01  0.630102D+01  0.709991D+01 -0.162130D+01
                21            22            23            24            25 
      1   0.210590D+02 -0.725963D+01 -0.216705D+01  0.158269D+02 -0.192196D+02
      2  -0.901166D+01 -0.296455D+01  0.609259D+01 -0.168549D+00  0.301567D+01
      3  -0.120473D+02  0.102242D+02 -0.392554D+01 -0.156583D+02  0.162039D+02
      4   0.456731D+01  0.760068D+01 -0.609086D+01 -0.132110D+00 -0.215372D+01
      5  -0.474108D+01  0.964783D+01  0.172502D+01  0.680281D+00  0.984810D+01
      6  -0.544841D+01  0.353680D+01 -0.640696D+00  0.384066D+01  0.123893D+02
                26            27            28            29            30 
      1   0.436408D+01  0.737991D+01  0.654978D+01  0.143119D+01 -0.233298D+01
      2  -0.812283D+00  0.111369D+01  0.691385D+00  0.500525D+00 -0.125063D+01
      3  -0.355180D+01 -0.849360D+01 -0.724116D+01 -0.193172D+01  0.358361D+01
      4   0.766322D-02  0.732897D+01  0.519375D+01  0.409572D+01  0.558642D+00
      5   0.634013D+01  0.616457D+01 -0.821822D+00  0.452997D+00  0.726049D+01
      6   0.549162D+01 -0.760048D+01 -0.644664D+01  0.195617D+01  0.195565D+01
                31            32            33            34            35 
      1  -0.918845D+01 -0.275307D+01 -0.815846D+01  0.563166D+01 -0.604290D+01
      2   0.714560D+01  0.535245D+01  0.281041D+00 -0.649467D+01 -0.647519D+01
      3   0.204285D+01 -0.259937D+01  0.787742D+01  0.863011D+00  0.125181D+02
      4   0.164739D+02  0.723271D-01 -0.323875D+01 -0.115238D+02 -0.661771D+01
      5  -0.137925D+02 -0.291868D+01  0.293449D+01 -0.161131D+02 -0.957518D+00
      6  -0.202924D+01 -0.381826D+01  0.778792D+01 -0.745009D+01  0.979370D+00
                36            37            38            39            40 
      1  -0.237233D+02  0.104747D+02 -0.247601D+01 -0.250358D+02  0.617552D+01
      2   0.532785D+01 -0.880460D+01 -0.146814D+01  0.343841D+01  0.368238D+01
      3   0.183955D+02 -0.167013D+01  0.394415D+01  0.215974D+02 -0.985791D+01
      4  -0.411102D+00 -0.922133D+01 -0.499954D+01 -0.881344D+01  0.832333D+01
      5   0.164229D+01 -0.980571D+01 -0.616514D+01 -0.424219D+01 -0.494648D+01
      6   0.723014D+01 -0.680208D+01  0.325614D+00 -0.365978D+01 -0.228297D+01
                41            42            43            44            45 
      1  -0.995461D+01  0.354640D+00  0.169400D+02  0.993339D+01  0.113617D+02
      2   0.137840D+02  0.734655D+01  0.129982D+00  0.186638D+01 -0.584322D+01
      3  -0.382939D+01 -0.770119D+01 -0.170700D+02 -0.117998D+02 -0.551850D+01
      4   0.314494D-01 -0.975869D+00  0.112730D+01  0.449260D+01 -0.448375D+01
      5  -0.727815D+00 -0.108947D+02  0.822929D+01 -0.511603D+01 -0.385607D+01
      6   0.349176D+01  0.521092D+01 -0.757083D+01 -0.334308D+01 -0.135847D+02
                46            47            48            49            50 
      1  -0.642190D+01  0.764488D+01  0.205895D+02 -0.234934D+02 -0.399872D+01
      2   0.917288D+01 -0.331726D+01 -0.808168D+01  0.721320D+01  0.376133D+01
      3  -0.275097D+01 -0.432761D+01 -0.125078D+02  0.162802D+02  0.237392D+00
      4   0.425749D+00  0.738421D+01  0.420655D+01  0.105109D+02 -0.391938D+01
      5   0.124292D+02  0.999903D+00 -0.951264D+01  0.475118D+01 -0.218242D+01
      6   0.462029D+01 -0.340964D+01 -0.731529D+01  0.107112D+01 -0.162454D+01
                51            52            53            54            55 
      1   0.207207D+02 -0.289300D+02  0.388289D+01  0.105068D+01 -0.480735D+02
      2   0.768162D+00  0.421728D+01  0.226667D+00  0.352417D+01  0.210503D+02
      3  -0.214888D+02  0.247127D+02 -0.410956D+01 -0.457486D+01  0.270233D+02
      4  -0.290067D+00 -0.434762D+01 -0.819993D+00  0.607016D+01  0.970210D+01
      5   0.226433D+01  0.150062D+01  0.541773D+01  0.825879D+01 -0.892264D+01
      6   0.923127D+01  0.102442D+02  0.679058D+01 -0.106543D+02 -0.230054D+01
                56            57            58            59            60 
      1   0.106041D+02 -0.724491D+01  0.433915D+02 -0.202552D+01  0.124125D+02
      2  -0.618117D+01  0.755773D+00 -0.303530D+02 -0.161145D+02 -0.104247D+02
      3  -0.442291D+01  0.648914D+01 -0.130385D+02  0.181400D+02 -0.198787D+01
      4  -0.847888D+01  0.474077D+01 -0.262548D+02 -0.361166D+02 -0.113367D+02
      5   0.444755D+01 -0.146771D+02  0.113914D+02 -0.115933D+02 -0.580937D+00
      6   0.110192D+01 -0.368363D+01  0.448203D+00 -0.564061D+01 -0.815600D+00
                61            62            63            64            65 
      1  -0.340559D+02  0.103716D+02 -0.150014D+02 -0.135369D+02 -0.370887D+02
      2   0.917685D+01 -0.119464D+02  0.126252D+02  0.116903D+02  0.185026D+02
      3   0.248790D+02  0.157483D+01  0.237625D+01  0.184657D+01  0.185861D+02
      4   0.796117D+01 -0.166431D+02 -0.686146D+01 -0.404175D+02  0.488502D+01
      5  -0.317885D+02 -0.619736D+01  0.319194D+02 -0.362958D+01 -0.113985D+02
      6  -0.652178D+01 -0.326905D+01  0.877966D+01 -0.269157D+01 -0.192468D+01
                66            67            68            69            70 
      1  -0.843369D+01 -0.764209D+02  0.115499D+02 -0.144553D+02  0.137411D+02
      2  -0.485477D-01  0.402824D+02 -0.709994D+01  0.637068D+01 -0.753579D+01
      3   0.848223D+01  0.361385D+02 -0.444995D+01  0.808462D+01 -0.620531D+01
      4  -0.102103D+02  0.128128D+02  0.339268D+02  0.157868D+02 -0.133080D+02
      5   0.226429D+02 -0.217012D+02  0.169995D+02 -0.203730D+01  0.404575D+02
      6  -0.130354D+01  0.179278D+01 -0.285668D+00  0.369383D+00  0.240975D-01
                71            72            73            74            75 
      1  -0.969194D+01  0.440260D+02  0.359979D+02  0.335314D+02 -0.289780D+01
      2   0.312485D+01 -0.117471D+02 -0.293746D+02 -0.145395D+02 -0.365349D+01
      3   0.656708D+01 -0.322789D+02 -0.662333D+01 -0.189919D+02  0.655129D+01
      4   0.191523D+02 -0.125883D+01  0.290253D+02 -0.196920D+02  0.117134D+02
      5  -0.661075D+00 -0.422169D+02 -0.488237D+01  0.116774D+02 -0.235267D+02
      6   0.364019D+01  0.406149D+00  0.676512D+01 -0.431216D+01  0.110855D+02
                76            77            78            79            80 
      1   0.408727D+02 -0.159704D+02  0.620239D+01 -0.595684D+01  0.823716D+01
      2  -0.180818D+02  0.111119D+02  0.341036D+01 -0.539003D+01  0.395247D+01
      3  -0.227909D+02  0.485857D+01 -0.961274D+01  0.113469D+02 -0.121896D+02
      4  -0.229995D+02 -0.110508D+02 -0.232789D+02  0.154904D+02 -0.306889D+02
      5   0.148362D+02 -0.221504D+02  0.876077D+01 -0.336819D+02  0.143405D+02
      6  -0.759793D+01  0.114800D+02 -0.382561D+01  0.131534D+02 -0.748768D+01
                81            82            83            84            85 
      1  -0.256493D+02  0.224380D+02  0.420090D+02  0.921441D+00  0.596581D+02
      2   0.153974D+02 -0.617996D+01 -0.239536D+02  0.295517D+01 -0.356086D+02
      3   0.102520D+02 -0.162580D+02 -0.180554D+02 -0.387661D+01 -0.240495D+02
      4   0.210736D+02  0.449939D+02 -0.597340D+01  0.182962D+02 -0.206265D+02
      5   0.356822D+02 -0.270644D+01  0.202646D+02 -0.389104D+02  0.266922D+02
      6  -0.112752D+02  0.579276D+01 -0.914225D+00 -0.827851D+00 -0.500303D+01
                86            87            88            89            90 
      1  -0.764896D+01  0.266258D+02 -0.612924D+01  0.226275D+02 -0.527729D+02
      2  -0.814151D+00 -0.186626D+02  0.609187D+01 -0.161791D+02  0.266330D+02
      3   0.846311D+01 -0.796320D+01  0.373669D-01 -0.644842D+01  0.261399D+02
      4  -0.469563D+02 -0.345525D+02  0.203179D+02 -0.323804D+02 -0.313420D+01
      5  -0.371646D+02  0.323095D+01 -0.583961D+02 -0.160235D+01  0.311696D+02
      6  -0.118937D+02 -0.709149D+01 -0.235810D+01 -0.701707D+01  0.494376D+01
                91            92            93            94            95 
      1   0.122043D+02  0.146652D+02 -0.668942D+01  0.285989D+02 -0.134037D+02
      2  -0.391832D+01 -0.106661D+02  0.427410D+01 -0.184218D+02  0.478160D+01
      3  -0.828603D+01 -0.399907D+01  0.241532D+01 -0.101771D+02  0.862214D+01
      4   0.101246D+02 -0.933058D+01  0.144667D+00 -0.361543D+02 -0.351328D+01
      5  -0.583813D+01  0.607222D-01 -0.629548D+01  0.664100D+01  0.646786D+01
      6  -0.263661D+00  0.646231D+00 -0.506555D+01  0.453914D+01  0.651037D+01
                96            97            98            99           100 
      1  -0.233261D+01 -0.644268D+00 -0.404806D+01  0.105549D+01 -0.715110D+01
      2   0.405493D+01  0.629749D+01  0.977265D+01 -0.230172D+01  0.569730D+01
      3  -0.172232D+01 -0.565323D+01 -0.572459D+01  0.124623D+01  0.145380D+01
      4   0.638234D+01  0.755021D+01  0.145406D+02 -0.226142D+02  0.450907D+01
      5  -0.182359D+02 -0.137296D+02 -0.214287D+02 -0.228337D+02  0.156116D+02
      6  -0.884728D+01 -0.114151D+02 -0.116320D+02 -0.821782D+01 -0.122158D+01
               101           102           103           104           105 
      1  -0.393668D+01  0.963002D+01  0.821517D+01  0.146047D+02 -0.244214D+01
      2   0.381793D+01 -0.659623D+01 -0.785319D+01 -0.655054D+01  0.208573D+01
      3   0.118747D+00 -0.303378D+01 -0.361981D+00 -0.805418D+01  0.356405D+00
      4   0.591888D+01 -0.740162D+00  0.119288D+02 -0.534266D+01 -0.333053D+00
      5  -0.328334D+00 -0.140501D+02 -0.234562D+01  0.800060D-02  0.271579D+02
      6   0.602928D+00  0.789324D+01 -0.171890D+01  0.189690D+01 -0.659705D+01
               106           107           108           109           110 
      1   0.254532D+02 -0.586426D+01 -0.129884D+02  0.442752D+02 -0.890046D+01
      2  -0.124812D+02 -0.672410D-01  0.125406D+02 -0.255794D+02  0.373268D+01
      3  -0.129720D+02  0.593150D+01  0.447800D+00 -0.186959D+02  0.516778D+01
      4  -0.117189D+02  0.102263D+02  0.171892D+02 -0.148836D+02  0.124963D+02
      5  -0.301094D+02  0.169924D+02  0.303801D+02 -0.361842D+02  0.297981D+01
      6   0.972228D+01 -0.124021D+02 -0.561688D+01  0.690597D+01 -0.314173D+01
               111           112           113           114           115 
      1  -0.263138D+02 -0.136117D+02  0.143184D+01  0.123420D+00 -0.459637D+02
      2   0.174541D+02  0.414414D+01  0.424886D+01 -0.417370D+00  0.274982D+02
      3   0.885972D+01  0.946757D+01 -0.568070D+01  0.293950D+00  0.184655D+02
      4   0.535299D+01  0.199275D+02 -0.164963D+02 -0.178955D+02  0.182835D+02
      5   0.301331D+02  0.915052D+01 -0.183987D+02 -0.194169D+02  0.434513D+02
      6  -0.591217D+01 -0.393304D+01  0.858318D+01  0.146234D+02 -0.678307D+01
               116           117           118           119           120 
      1   0.464338D+01  0.116309D+02  0.406360D+01  0.662015D+01  0.144402D+02
      2  -0.155832D+01 -0.226832D+02 -0.100188D+02  0.328187D+01 -0.996844D+01
      3  -0.308506D+01  0.110523D+02  0.595516D+01 -0.990202D+01 -0.447177D+01
      4  -0.267372D+02 -0.119319D+02  0.137705D+02 -0.180837D+02 -0.122147D+01
      5  -0.117689D+02 -0.754391D+02  0.129753D+02  0.220581D+01  0.983877D+01
      6   0.142043D+02  0.196926D+02 -0.628112D+00 -0.167467D+01 -0.957808D+00
               121           122           123           124           125 
      1   0.148192D+02 -0.241584D+02  0.640610D+01  0.249864D+02 -0.178023D+00
      2   0.104217D+01  0.775942D+01 -0.456682D+01 -0.142835D+02 -0.256119D+01
      3  -0.158613D+02  0.163989D+02 -0.183928D+01 -0.107030D+02  0.273921D+01
      4  -0.204951D+02  0.249618D+02  0.755149D+01 -0.154032D+02  0.193218D+02
      5   0.231730D+00  0.699245D+01 -0.513028D+01  0.267748D+02 -0.158069D+02
      6  -0.127289D+01 -0.494394D+01  0.865834D+01 -0.686967D+01  0.139696D+02
               126           127           128           129           130 
      1   0.299293D+01  0.157116D+00 -0.264293D+01 -0.190118D+01 -0.782865D+00
      2  -0.124862D+02 -0.103871D+01  0.250445D+01 -0.407779D+00  0.111213D+00
      3   0.949325D+01  0.881590D+00  0.138474D+00  0.230896D+01  0.671653D+00
      4  -0.133258D+02  0.425037D+01  0.429332D+01  0.434432D+01  0.407306D+01
      5   0.399442D+02  0.780137D+01  0.464043D+01  0.840917D+01  0.581433D+01
      6  -0.138181D+02  0.541945D+01  0.436826D+01  0.576903D+01  0.464412D+01
               131           132           133           134           135 
      1  -0.768648D+01 -0.833048D+01 -0.331507D+01 -0.111371D+02 -0.191113D+02
      2   0.462147D+01  0.172177D+01 -0.148974D+01  0.478468D+01 -0.556411D+00
      3   0.306501D+01  0.660871D+01  0.480481D+01  0.635244D+01  0.196677D+02
      4   0.506734D+01  0.387924D+01  0.431526D+01  0.409816D+01  0.485077D+01
      5   0.558301D+01  0.768162D+01  0.972081D+01  0.650696D+01  0.144197D+02
      6   0.921122D+01  0.102338D+02  0.659922D+01  0.124339D+02  0.173976D+02
               136           137           138           139           140 
      1   0.470073D+01 -0.210810D+00  0.164313D+01  0.870434D+00 -0.237207D+01
      2  -0.579573D+01  0.434040D+00  0.371641D+01  0.842434D+00  0.280679D+00
      3   0.109500D+01 -0.223230D+00 -0.535954D+01 -0.171287D+01  0.209139D+01
      4  -0.488862D+01  0.296124D+01  0.261272D+01  0.223228D+01 -0.171189D+01
      5  -0.987965D+01  0.150652D+01  0.895273D+01  0.249421D+01 -0.244469D+01
      6   0.119317D+01 -0.200326D+01 -0.118254D+01 -0.179890D+01  0.269609D+01
               141           142           143           144           145 
      1  -0.457575D+01  0.395910D+01 -0.376431D+01 -0.140034D+02 -0.274784D+01
      2  -0.577989D+00  0.387998D+01  0.660241D+00 -0.699184D+01 -0.250320D+01
      3   0.515374D+01 -0.783908D+01  0.310407D+01  0.209953D+02  0.525104D+01
      4  -0.230345D+01  0.424501D+01 -0.440794D+01 -0.604877D+01  0.431470D+01
      5  -0.239932D+01  0.113622D+02 -0.286975D+01 -0.151588D+02  0.994461D+01
      6   0.373167D+01 -0.344591D+01  0.549339D+01  0.679021D+01  0.579228D+01
               146           147           148           149           150 
      1  -0.336219D+01 -0.525587D+01 -0.388302D+01 -0.812442D+01 -0.120982D+02
      2   0.893622D+00 -0.227434D+01 -0.853885D+00  0.190551D+01 -0.971691D+00
      3   0.246857D+01  0.753021D+01  0.473691D+01  0.621891D+01  0.130699D+02
      4   0.407952D+01  0.392028D+01  0.300489D+01  0.371490D+01  0.314981D+01
      5   0.551889D+01  0.116406D+02  0.636699D+01  0.544916D+01  0.899124D+01
      6   0.506064D+01  0.650709D+01  0.456322D+01  0.901505D+01  0.107790D+02
               151           152           153           154           155 
      1  -0.734921D+01 -0.123815D+02 -0.263199D+02  0.382709D+00 -0.359427D+00
      2  -0.284634D+01  0.135223D+01 -0.729658D+01 -0.844554D+01  0.947196D+00
      3   0.101955D+02  0.110293D+02  0.336165D+02  0.806283D+01 -0.587769D+00
      4   0.378547D+01  0.364751D+01  0.393055D+01 -0.350512D+01  0.294539D+01
      5   0.111867D+02  0.694703D+01  0.176020D+02 -0.155842D+02  0.214555D+01
      6   0.698178D+01  0.130453D+02  0.189999D+02  0.902312D+00 -0.289318D+01
               156           157           158           159           160 
      1   0.442602D+01  0.368965D+01 -0.239977D+01 -0.623999D+01  0.363959D+01
      2   0.843818D+01  0.618301D-01 -0.601535D+00 -0.233403D+01  0.927487D+01
      3  -0.128642D+02 -0.375148D+01  0.300131D+01  0.857401D+01 -0.129145D+02
      4   0.311540D+01  0.157351D+01 -0.130315D+01 -0.308873D+01  0.513753D+01
      5   0.164108D+02  0.233870D+01 -0.324860D+01 -0.386563D+01  0.168760D+02
      6  -0.302390D+00 -0.216381D+01  0.263519D+01  0.414985D+01 -0.305448D+01
               161           162           163           164           165 
      1  -0.312476D+01 -0.208703D+02  0.130410D+02 -0.564562D+00 -0.802504D+01
      2  -0.105267D+01 -0.155391D+02 -0.105544D+02  0.540011D+00  0.629395D+01
      3   0.417743D+01  0.364094D+02 -0.248666D+01  0.245511D-01  0.173109D+01
      4  -0.442416D+01 -0.605701D+01  0.326223D+01  0.654409D+01 -0.583891D+01
      5  -0.394068D+01 -0.250234D+02 -0.159506D+02 -0.506468D+01  0.167437D+02
      6   0.605726D+01  0.591981D+01 -0.388033D+01 -0.229161D+01  0.390093D+01
               166           167           168           169           170 
      1  -0.838564D+01 -0.972917D+00  0.712536D+00 -0.145342D+02  0.116772D+01
      2   0.476752D+01  0.150732D+01 -0.783104D+00  0.119140D+02  0.495966D+00
      3   0.361812D+01 -0.534404D+00  0.705686D-01  0.262019D+01 -0.166368D+01
      4   0.592220D+01  0.650620D+01 -0.566395D+01 -0.789445D+01 -0.866323D+01
      5  -0.230111D+01 -0.610581D+01  0.150395D+01  0.209492D+02  0.103424D+02
      6  -0.233022D+01 -0.250744D+01  0.542172D+01  0.636041D+01  0.753449D+01
               171           172           173           174           175 
      1  -0.441143D+01  0.693180D+01  0.725944D+01  0.377628D+01  0.794003D+01
      2  -0.111672D+02  0.136678D+01 -0.174805D+01 -0.122273D+01  0.471491D+01
      3   0.155786D+02 -0.829858D+01 -0.551139D+01 -0.255355D+01 -0.126549D+02
      4   0.103203D+02  0.102960D+02  0.120856D+02  0.790080D+00  0.229727D+02
      5  -0.418775D+02  0.470955D+01  0.137429D+00  0.393769D+01  0.137382D+01
      6  -0.143249D+02  0.172964D+01 -0.228593D-01  0.710863D+00  0.105535D+01
               176           177           178           179           180 
      1  -0.170482D+02 -0.173311D+01  0.160843D+02 -0.356699D+01  0.977485D-01
      2   0.377266D+02  0.420512D+01 -0.435739D+01  0.785283D+01  0.196959D+01
      3  -0.206784D+02 -0.247201D+01 -0.117269D+02 -0.428584D+01 -0.206733D+01
      4   0.522418D+02  0.611537D+01  0.634000D+01  0.140246D+02  0.830831D+01
      5   0.555096D+01  0.549959D+01  0.879061D+01  0.809998D+01  0.250756D+01
      6   0.283462D+01  0.536555D+01  0.311897D+01  0.728571D+01  0.271625D+01
               181           182           183           184           185 
      1  -0.122520D+02  0.463551D+01  0.145585D+02  0.949090D+01 -0.799381D+01
      2   0.146142D+01 -0.216837D+01 -0.319625D+01 -0.461797D+01  0.292137D+01
      3   0.107906D+02 -0.246714D+01 -0.113623D+02 -0.487293D+01  0.507244D+01
      4   0.546738D+01 -0.208534D+01  0.172342D+01 -0.285243D+00 -0.476524D+01
      5   0.792448D+01  0.158841D+01 -0.476012D+01  0.131883D+01  0.445183D+01
      6  -0.541719D+00 -0.644641D+00  0.332235D+00 -0.121838D+01 -0.210592D+00
               186           187           188           189           190 
      1   0.253168D+01  0.218718D+02  0.323529D+01 -0.289780D+02  0.126715D+02
      2  -0.116519D+01 -0.770510D+01 -0.179055D+01 -0.721001D+01 -0.678044D+01
      3  -0.136649D+01 -0.141667D+02 -0.144474D+01  0.361880D+02 -0.589104D+01
      4   0.490343D+01  0.248408D+01  0.654874D+01  0.663383D-01 -0.115296D+02
      5  -0.642017D+00 -0.232922D+01  0.381457D+00  0.463271D+02 -0.162264D+02
      6   0.656851D+01  0.202813D+00  0.385852D+01 -0.133709D+01  0.444764D+01
               191           192           193           194           195 
      1  -0.605196D+01 -0.124681D+02 -0.174704D+01  0.235771D+01 -0.234725D+01
      2   0.123285D+01  0.870238D+01 -0.644574D+00 -0.815269D+00  0.275784D+01
      3   0.481911D+01  0.376572D+01  0.239161D+01 -0.154244D+01 -0.410583D+00
      4   0.109553D+02  0.637554D+01  0.797337D+01 -0.451706D+01 -0.667422D+01
      5   0.360802D+01  0.195418D+02  0.296071D+00 -0.671416D+01 -0.303870D+01
      6  -0.173682D+01 -0.642222D+01 -0.176742D+01  0.264122D+01  0.612769D+01
               196           197           198           199           200 
      1  -0.180067D+02 -0.130563D+01  0.767732D+01  0.320496D+02 -0.201998D+02
      2   0.120587D+02  0.303642D+01 -0.141509D+02 -0.786378D+01  0.112648D+01
      3   0.594804D+01 -0.173079D+01  0.647359D+01 -0.241858D+02  0.190733D+02
      4   0.103859D+02 -0.145263D+02 -0.176130D+02 -0.384642D+02  0.343526D+02
      5   0.242815D+02 -0.134381D+02 -0.542236D+02  0.156894D+02 -0.982104D+01
      6  -0.857706D+01  0.881980D+01  0.206113D+02 -0.776020D+01  0.606490D+01
               201           202           203           204           205 
      1   0.111664D+02 -0.182040D+02  0.978999D+01 -0.344843D+01  0.175088D+02
      2  -0.327924D+01 -0.755093D+00  0.119408D+02 -0.365363D+01 -0.536809D+01
      3  -0.788716D+01  0.189590D+02 -0.217308D+02  0.710206D+01 -0.121407D+02
      4  -0.127256D+02  0.359169D+02 -0.459325D+02  0.184962D+02 -0.217462D+02
      5   0.147691D+02 -0.112025D+02  0.165207D+02 -0.119235D+02  0.204961D+02
      6  -0.726971D+01  0.758612D+01 -0.116188D+02  0.872426D+01 -0.101395D+02
               206           207           208           209           210 
      1  -0.518215D+01  0.946691D+01 -0.562870D+02 -0.226592D+02 -0.125383D+01
      2  -0.458634D+01 -0.382149D+01  0.330280D+02  0.197100D+02  0.121600D+01
      3   0.976850D+01 -0.564543D+01  0.232590D+02  0.294919D+01  0.378242D-01
      4   0.283772D+02 -0.197910D+02  0.611531D+01 -0.909533D+01 -0.173854D+01
      5  -0.166158D+02  0.170609D+02 -0.164277D+01 -0.240181D+01 -0.154402D+01
      6   0.115033D+02 -0.103464D+02 -0.147987D+01 -0.271441D+00  0.262086D+01
               211           212           213           214           215 
      1  -0.176346D+02 -0.204046D+02 -0.102767D+01 -0.162141D+01 -0.159564D+00
      2   0.150741D+02  0.188386D+02 -0.333199D-01  0.166697D+01 -0.482770D+00
      3   0.256057D+01  0.156602D+01  0.106099D+01 -0.455621D-01  0.642334D+00
      4  -0.247217D+01 -0.620453D+01  0.167159D+01 -0.994397D+00  0.336601D+01
      5  -0.133167D+01  0.109920D+01 -0.217473D+01  0.126414D+01 -0.414575D+01
      6   0.614527D+00 -0.634901D+00  0.312572D+01  0.190955D+01  0.431803D+01
               216           217           218           219           220 
      1  -0.476798D+01  0.416381D+02  0.146772D+01 -0.243208D+02 -0.444707D+01
      2   0.242350D+01 -0.221252D+02  0.850726D-01  0.120160D+02  0.378984D+01
      3   0.234448D+01 -0.195129D+02 -0.155279D+01  0.123048D+02  0.657224D+00
      4  -0.379456D+01  0.325596D+01  0.806367D+01 -0.575541D+01  0.132538D+02
      5  -0.370426D+01 -0.242220D+02 -0.505636D+01  0.250984D+02 -0.445858D+01
      6   0.956519D+00 -0.326110D+01 -0.562596D+00  0.260735D+01 -0.122026D+01
               221           222           223           224           225 
      1   0.860047D+01 -0.391215D+01 -0.507322D+02 -0.904980D+01  0.328608D+02
      2  -0.296563D+01  0.158314D+01  0.262684D+02  0.383702D+01 -0.205015D+02
      3  -0.563484D+01  0.232900D+01  0.244638D+02  0.521278D+01 -0.123592D+02
      4   0.899040D+01 -0.676068D+01 -0.119727D+02 -0.130972D+02  0.729928D+01
      5  -0.627147D+01  0.208241D+01  0.402972D+02  0.685254D+01 -0.607884D+02
      6  -0.583803D-01  0.386270D+01  0.381279D+01  0.404751D+01 -0.743511D+01
               226           227           228           229           230 
      1   0.272844D+01  0.115982D+02  0.602636D+01  0.223987D+02  0.473731D+01
      2   0.433825D+00 -0.473409D+01 -0.288086D+01 -0.738883D+01  0.136943D+02
      3  -0.316226D+01 -0.686409D+01 -0.314550D+01 -0.150099D+02 -0.184316D+02
      4   0.110843D+02  0.108368D+02  0.256578D+01  0.318343D+02  0.808084D+02
      5   0.612172D+01  0.292535D+01  0.668355D+01  0.973941D+01  0.268373D+02
      6   0.295991D+01  0.101620D+01  0.474095D+00  0.555142D+01  0.172383D+02
               231           232           233           234           235 
      1  -0.100024D+01  0.110054D+02 -0.174146D+01  0.619844D+01  0.806435D+02
      2   0.236257D+01 -0.604307D+01  0.236501D+01 -0.419644D+01 -0.461599D+02
      3  -0.136232D+01 -0.496228D+01 -0.623553D+00 -0.200200D+01 -0.344836D+02
      4   0.256073D+02  0.822721D+01  0.257492D+02  0.180754D+02 -0.234001D+02
      5   0.192384D+02  0.166376D+02  0.188481D+02  0.150114D+02  0.381583D+02
      6   0.106627D+02  0.358977D+01  0.108923D+02  0.744663D+01 -0.324038D+01
               236           237           238           239           240 
      1  -0.234746D+02  0.294898D+02 -0.511868D+02  0.191718D+02 -0.163669D+02
      2   0.134938D+02 -0.191906D+02  0.286538D+02 -0.984027D+01  0.119980D+02
      3   0.998078D+01 -0.102993D+02  0.225330D+02 -0.933149D+01  0.436891D+01
      4   0.166516D+02 -0.100509D+02  0.264462D+02 -0.212778D+02  0.173597D+02
      5  -0.119327D+02  0.288752D+02 -0.235652D+02  0.184441D+02 -0.191791D+02
      6   0.216912D+01 -0.664322D+00  0.471394D+01 -0.373804D+01  0.438604D+01
               241           242           243           244           245 
      1   0.439592D+02 -0.103367D+02  0.299645D+02  0.289625D+01  0.672438D+00
      2  -0.290167D+02  0.837379D+01 -0.233162D+02 -0.346239D+01  0.217196D-01
      3  -0.149425D+02  0.196290D+01 -0.664824D+01  0.566139D+00 -0.694158D+00
      4  -0.123040D+02  0.177052D+02 -0.114169D+02  0.496565D+01  0.712571D+01
      5   0.436164D+02 -0.126106D+02  0.334862D+02  0.137440D+02  0.426743D+01
      6  -0.167814D+01  0.460353D+01 -0.302605D+01  0.601617D+01  0.157907D+01
               246           247           248           249           250 
      1   0.820318D+01 -0.539732D+00 -0.611588D+00 -0.142940D+01  0.104410D+02
      2  -0.497091D+01  0.154859D+01  0.280026D+01  0.164246D+01 -0.743019D+01
      3  -0.323227D+01 -0.100886D+01 -0.218867D+01 -0.213064D+00 -0.301078D+01
      4   0.478396D+01  0.108950D+02  0.111357D+02  0.838369D+01  0.609471D+01
      5   0.112740D+02  0.517213D+01  0.879944D+01  0.116809D+02  0.159264D+02
      6   0.333332D+01  0.305857D+01  0.621647D+01  0.881715D+01  0.504704D+01
               251           252           253           254           255 
      1  -0.303309D+01 -0.355643D+01 -0.418568D+02 -0.442320D+02  0.693332D+01
      2   0.143328D+01 -0.674608D+01  0.301668D+01  0.315858D+02  0.211710D+01
      3   0.159981D+01  0.103025D+02  0.388401D+02  0.126462D+02 -0.905042D+01
      4   0.113994D+02  0.121047D+02 -0.551085D+02 -0.969891D+01  0.601552D+01
      5   0.115753D+02  0.354126D+02  0.117908D+02  0.973235D+01  0.568264D+01
      6   0.831432D+01  0.155485D+02  0.580465D+01  0.370408D+00  0.314291D+01
               256           257           258           259           260 
      1  -0.358095D+02  0.137435D+02  0.119896D+02 -0.169373D+01  0.134964D+02
      2   0.282209D+02 -0.175682D+02 -0.511675D+01  0.207060D+01 -0.120404D+02
      3   0.758863D+01  0.382467D+01 -0.687285D+01 -0.376867D+00 -0.145604D+01
      4   0.327161D+01  0.493140D+01 -0.906072D+01 -0.453398D+01 -0.160033D+02
      5   0.255212D+01 -0.141160D+02  0.141900D+02  0.131263D+02  0.147052D+02
      6  -0.535774D+01 -0.859408D+01  0.119969D+02  0.936370D+01  0.145626D+02
               261           262           263           264           265 
      1   0.886486D+01  0.283232D+02 -0.202045D+02  0.440843D+01 -0.238225D+02
      2   0.136804D+02 -0.736643D+01  0.346987D+01 -0.160459D+01  0.176893D+01
      3  -0.225453D+02 -0.209568D+02  0.167346D+02 -0.280384D+01  0.220536D+02
      4   0.198737D+02 -0.304910D+02  0.290414D+02 -0.564330D+01  0.391448D+02
      5   0.143869D+02  0.972930D+01 -0.687053D+01  0.716927D+01 -0.947611D+01
      6   0.456191D+01 -0.387273D+01  0.380167D+01 -0.213459D+01  0.481500D+01
               266           267           268           269           270 
      1   0.178669D+02 -0.330910D+01 -0.626133D+01  0.572057D+01  0.136028D+01
      2   0.713223D+01  0.488973D+00 -0.381934D+00  0.118163D+01 -0.130509D+00
      3  -0.249991D+02  0.282012D+01  0.664327D+01 -0.690219D+01 -0.122977D+01
      4  -0.510491D+02  0.913274D+01  0.860356D+01 -0.950973D+01 -0.425565D+01
      5   0.109982D+02 -0.101143D+02  0.398834D+01 -0.373049D+01  0.277086D+01
      6  -0.739616D+01  0.451565D+01 -0.168383D+01  0.266015D+01 -0.101705D+01
               271           272           273           274           275 
      1  -0.130136D+02  0.262821D+02 -0.150829D+01  0.175122D+02 -0.371462D+02
      2   0.156309D+02 -0.284158D+02 -0.322416D+00 -0.161183D+02  0.516605D+02
      3  -0.261727D+01  0.213374D+01  0.183071D+01 -0.139387D+01 -0.145143D+02
      4   0.214031D+01 -0.401132D+01  0.112356D+01  0.355819D+01  0.219723D+02
      5   0.298928D+01 -0.286473D+01 -0.321342D+01 -0.354348D+01  0.440986D+01
      6  -0.121160D+01  0.385810D+01 -0.486483D+01  0.121214D+01 -0.602176D+01
               276           277           278           279           280 
      1   0.110428D+00  0.331526D+01 -0.516383D+01 -0.725396D+01  0.107956D+01
      2   0.745564D+00 -0.267174D+01  0.872759D+01  0.510056D+01 -0.261173D+01
      3  -0.855991D+00 -0.643516D+00 -0.356375D+01  0.215339D+01  0.153217D+01
      4  -0.132698D+00  0.204951D+01  0.657987D+01 -0.390413D+00  0.254000D+01
      5   0.261412D+01 -0.212002D+01  0.242713D+01  0.846062D+00 -0.463078D+01
      6   0.564487D+01 -0.327702D+01  0.526359D+01  0.853716D+00 -0.239631D+01
               281           282           283           284           285 
      1   0.432188D+01 -0.838004D+01 -0.480293D+00 -0.328449D+01 -0.234224D+01
      2  -0.426786D+01  0.116066D+01 -0.164773D+01 -0.115925D+01 -0.372281D+01
      3  -0.540240D-01  0.721938D+01  0.212802D+01  0.444374D+01  0.606505D+01
      4   0.421559D+00 -0.292874D+01 -0.184891D+01 -0.685493D+01 -0.228192D+01
      5  -0.567902D+00 -0.243469D+00  0.113023D+01 -0.121135D+01 -0.679833D+01
      6   0.124862D+01 -0.269635D+01  0.100660D+01  0.142615D+01 -0.329819D+00
               286           287           288           289           290 
      1  -0.835732D+01  0.144987D+01 -0.183481D+02  0.776582D+02  0.247172D+02
      2   0.310623D+01 -0.500119D+01 -0.146424D+02 -0.248346D+02 -0.137300D+01
      3   0.525109D+01  0.355132D+01  0.329906D+02 -0.528236D+02 -0.233442D+02
      4  -0.562478D+01 -0.752291D+01 -0.328691D+01  0.665501D+02  0.384242D+02
      5   0.553679D+01  0.262105D+00 -0.326357D+02 -0.208410D+02 -0.996012D+01
      6   0.529152D+00  0.472474D+01 -0.195623D+02 -0.811199D+01 -0.660663D+01
               291           292           293           294           295 
      1  -0.517649D+01  0.170750D+02  0.100517D+02 -0.204157D+01  0.735803D+00
      2   0.214551D+01  0.120945D+01  0.638305D+01  0.229197D+00  0.148143D+01
      3   0.303098D+01 -0.182845D+02 -0.164348D+02  0.181237D+01 -0.221724D+01
      4  -0.880687D+01  0.320995D+02  0.255888D+02 -0.344797D+01 -0.675593D+00
      5   0.129309D+02 -0.645637D+01 -0.363158D+01  0.318533D+01  0.124770D+02
      6   0.719991D+01 -0.453409D+01 -0.390147D+01  0.263142D+01  0.640947D+01
               296           297 
      1  -0.137453D+01  0.645751D+01
      2   0.226675D+01 -0.451953D+01
      3  -0.892221D+00 -0.193797D+01
      4   0.113095D+01  0.632170D+01
      5   0.455659D+01 -0.492233D+01
      6   0.320489D+01 -0.243607D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x         -0.395197D+00     -0.100449D+01     -0.335062D+01
   y          0.116479D+00      0.296061D+00      0.987552D+00
   z          0.467266D+00      0.118767D+01      0.396165D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.207638D+03      0.307687D+02      0.342348D+02
   yx         0.859183D+01      0.127318D+01      0.141660D+01
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.367802D+01     -0.545026D+00     -0.606423D+00
   zy         0.680300D+01      0.100810D+01      0.112166D+01
   zz         0.142111D+03      0.210587D+02      0.234310D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167239D+03      0.247822D+02      0.275739D+02
   aniso      0.780219D+02      0.115616D+02      0.128641D+02
   xx         0.216660D+03      0.321057D+02      0.357224D+02
   yx         0.912097D+01      0.135159D+01      0.150384D+01
   yy         0.135879D+03      0.201352D+02      0.224034D+02
   zx        -0.425430D+01     -0.630422D+00     -0.701440D+00
   zy         0.719583D+01      0.106631D+01      0.118643D+01
   zz         0.149177D+03      0.221058D+02      0.245960D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.99629869         -1.16659233         -0.62187336
     6         -1.75483707         -1.24733482          2.00410421
     6         -0.07021343         -0.24004431         -2.13652369
     6          2.17462890          0.63549753         -1.06623725
     6          2.43510919          0.54002315          1.54674222
     6          0.49521669         -0.38240268          3.05813231
     6         -3.89475450         -2.18400460          3.62521449
     6         -6.09564098         -0.29327574          3.88218847
     6         -5.25290596          2.16509076          5.13814707
     6         -8.28755635         -1.49877103          5.32370596
     6          4.27618626          1.70037635         -2.70948339
     6          5.08435486         -0.30301368         -4.59334465
     8          4.28789540         -0.53411162         -6.71170882
     8          6.81301502         -1.89912656         -3.59571769
     1         -3.71873201         -1.85008203         -1.49425873
     1         -0.29772683         -0.22034128         -4.16976480
     1          4.17238522          1.19083807          2.41244704
     1          0.73707648         -0.43201145          5.09045120
     1         -3.18744803         -2.63664455          5.51447001
     1         -4.63430534         -3.94358732          2.83210369
     1         -6.74971277          0.15694319          1.96988184
     1         -4.56501341          1.80513489          7.05418313
     1         -6.82285844          3.49646454          5.27469901
     1         -3.73455167          3.07415846          4.08294267
     1         -7.71289306         -1.99705110          7.24533970
     1         -8.94233247         -3.22180452          4.39548544
     1         -9.88744631         -0.20376929          5.46483125
     1          5.89499024          2.07323949         -1.48944743
     6          3.48861887          4.13083532         -4.06245746
     1          7.15849612         -3.17592655         -4.86539219
     1          2.89918868          5.53632259         -2.67697489
     1          1.92125919          3.77471491         -5.34648956
     1          5.05089378          4.90098401         -5.16503231

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.622966D+00      0.158342D+01      0.528172D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.178798D+03      0.264951D+02      0.294798D+02
   yx         0.136405D+02      0.202131D+01      0.224901D+01
   yy         0.129333D+03      0.191652D+02      0.213241D+02
   zx        -0.307896D+02     -0.456254D+01     -0.507651D+01
   zy        -0.616562D+01     -0.913651D+00     -0.101657D+01
   zz         0.171421D+03      0.254020D+02      0.282636D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167239D+03      0.247822D+02      0.275739D+02
   aniso      0.780219D+02      0.115616D+02      0.128641D+02
   xx         0.186546D+03      0.276432D+02      0.307572D+02
   yx         0.143760D+02      0.213030D+01      0.237028D+01
   yy         0.135397D+03      0.200638D+02      0.223240D+02
   zx        -0.317388D+02     -0.470320D+01     -0.523302D+01
   zy        -0.657617D+01     -0.974488D+00     -0.108426D+01
   zz         0.179773D+03      0.266396D+02      0.296406D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-11\Freq\RM11\Gen\C13H18O2\PIERPA\29-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.646549,-0.7381
 31,-0.801564\C,-1.432592,-0.511522,0.329783\C,0.68001,-0.338401,-0.847
 846\C,1.266867,0.302071,0.243935\C,0.492409,0.520436,1.377965\C,-0.838
 534,0.122026,1.41791\C,-2.882387,-0.913637,0.347539\C,-3.797679,0.0133
 96,-0.476375\C,-3.787727,1.442814,0.061806\C,-5.218015,-0.547768,-0.52
 076\C,2.71306,0.76711,0.19183\C,3.602939,-0.42927,-0.086386\O,3.981236
 ,-0.787282,-1.17171\O,3.915201,-1.096316,1.047826\H,-1.080077,-1.24068
 6,-1.658424\H,1.270566,-0.537518,-1.733203\H,0.933056,1.005917,2.24038
 9\H,-1.424007,0.306057,2.310676\H,-3.244624,-0.936082,1.379648\H,-2.98
 0608,-1.931165,-0.04143\H,-3.406098,0.034214,-1.499523\H,-4.163541,1.4
 70389,1.088857\H,-4.425556,2.090476,-0.542757\H,-2.782177,1.864314,0.0
 62741\H,-5.646809,-0.595436,0.484188\H,-5.235024,-1.556669,-0.938514\H
 ,-5.870883,0.08041,-1.129959\H,2.976513,1.139253,1.182625\C,2.933498,1
 .865447,-0.850054\H,4.436417,-1.871707,0.786177\H,2.278614,2.710285,-0
 .637065\H,2.713092,1.4975,-1.850637\H,3.967865,2.211791,-0.839432\\Ver
 sion=ES64L-G16RevA.03\State=1-A\HF=-657.0243758\RMSD=9.069e-09\RMSF=3.
 633e-06\ZeroPoint=0.2841143\Thermal=0.299817\Dipole=-0.3951974,0.11647
 92,0.4672663\DipoleDeriv=-0.1300535,0.035352,0.0231723,0.0277115,-0.06
 6299,0.0710308,0.084727,0.0942769,0.0467666,0.3315175,0.0470541,0.0211
 744,0.1134197,-0.067765,0.0243013,0.0242605,0.0187992,-0.0821011,-0.10
 34301,-0.0048859,-0.033065,-0.007702,-0.0932587,0.0401624,-0.0660876,0
 .0327982,-0.0018166,0.2700829,0.0609446,-0.0697346,0.1762475,-0.115236
 2,-0.0209535,-0.0088253,0.005423,-0.072768,-0.0736012,0.035675,0.04911
 57,0.0426434,-0.0667473,0.0731865,0.0016126,0.0729834,0.0581552,-0.151
 2521,-0.0050104,-0.0766408,-0.061504,-0.0995636,0.0487704,-0.1036786,0
 .0264885,0.0389577,0.0000628,-0.0039896,-0.0546494,0.0945721,0.1161084
 ,0.018528,-0.1547335,-0.0152173,0.1422322,0.1505204,0.0011282,0.025697
 1,-0.125619,0.1192031,0.016464,0.1132001,0.0330648,0.0878038,0.0211728
 ,-0.036928,-0.0300422,0.0034588,-0.032567,-0.0440273,-0.0567937,-0.018
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 PATIENCE IS THE ABILITY TO IDLE YOUR MOTOR WHEN
 YOU FEEL LIKE STRIPPING YOUR GEARS.
 Job cpu time:       0 days 13 hours 45 minutes  9.7 seconds.
 Elapsed time:       0 days  1 hours 43 minutes 14.0 seconds.
 File lengths (MBytes):  RWF=    603 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep 29 13:35:39 2021.
